(2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine

C20H30N6O — CID 166587255

IUPAC(2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine
SMILESC[C@@H]1C[C@H](N)[C@H](COC2CCC(c3ccccc3)CC2)N1c1nnnn1C
InChIInChI=1S/C20H30N6O/c1-14-12-18(21)19(26(14)20-22-23-24-25(20)2)13-27-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,14,16-19H,8-13,21H2,1-2H3/t14-,16?,17?,18+,19+/m1/s1
InChIKeySTICFGIZIBPNOJ-JVDIXKJGSA-N
MW370.50 g/mol
LogP2.25
Rot. Bonds5

About (2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine

(2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine (PubChem CID 166587255) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is (2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine
PubChem CID166587255
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name(2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine
SMILESC[C@@H]1C[C@H](N)[C@H](COC2CCC(c3ccccc3)CC2)N1c1nnnn1C
InChIInChI=1S/C20H30N6O/c1-14-12-18(21)19(26(14)20-22-23-24-25(20)2)13-27-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,14,16-19H,8-13,21H2,1-2H3/t14-,16?,17?,18+,19+/m1/s1
InChIKeySTICFGIZIBPNOJ-JVDIXKJGSA-N
XLogP2.25
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R,3R,5S)-3-methyl-2-(1-methyltetrazol-5-yl)-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
CID 166107697
ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine
CID 154681369
1-[(2R,3S)-3-amino-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-1-yl]propane-1,2-dione
CID 166854291
2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine
CID 163392057
(2S)-1-[(2R,3S)-3-amino-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 166854386
[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
CID 148800849
1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone
CID 166854328
N-[(2R,3S)-1-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 154681368
4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine
CID 79678749
benzyl (3S)-3-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 165003395
[2-[(2R,3S)-3-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-1-yl]-2-oxoethyl] acetate
CID 155065254
(2R,3S,5R)-3-[(4-methoxyphenyl)methylamino]-5-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 155046034

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine?
The IUPAC name of (2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine (CID 166587255) is (2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine.
What is the SMILES notation for (2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine?
The canonical SMILES for (2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine is C[C@@H]1C[C@H](N)[C@H](COC2CCC(c3ccccc3)CC2)N1c1nnnn1C.
What is the InChIKey of (2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine?
The InChIKey is STICFGIZIBPNOJ-JVDIXKJGSA-N. The full InChI is InChI=1S/C20H30N6O/c1-14-12-18(21)19(26(14)20-22-23-24-25(20)2)13-27-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,14,16-19H,8-13,21H2,1-2H3/t14-,16?,17?,18+,19+/m1/s1.
What are the key properties of (2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine?
(2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine has a molecular weight of 370.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-methyl-1-(1-methyltetrazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine is sourced from PubChem (CID 166587255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).