(1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine

C19H36N2 — CID 115400409

IUPAC(1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)C(CNC1C(C)(C)[C@H]2CC[C@]1(C)C2)N1CCCC1
InChIInChI=1S/C19H36N2/c1-14(2)16(21-10-6-7-11-21)13-20-17-18(3,4)15-8-9-19(17,5)12-15/h14-17,20H,6-13H2,1-5H3/t15-,16?,17?,19+/m0/s1
InChIKeyBUAANMJIFJLRPY-BOMAWHNGSA-N
MW292.51 g/mol
LogP3.91
Rot. Bonds5

About (1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine

(1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115400409) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is (1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115400409
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name(1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)C(CNC1C(C)(C)[C@H]2CC[C@]1(C)C2)N1CCCC1
InChIInChI=1S/C19H36N2/c1-14(2)16(21-10-6-7-11-21)13-20-17-18(3,4)15-8-9-19(17,5)12-15/h14-17,20H,6-13H2,1-5H3/t15-,16?,17?,19+/m0/s1
InChIKeyBUAANMJIFJLRPY-BOMAWHNGSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylpentyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114200148
3,3-dimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclopentan-1-amine
CID 80692361
N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
CID 115400247
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine
CID 65286954
3-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]pentan-1-ol
CID 113302762
8,8-dimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865555
N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 106040859
(1R,4S)-1,3,3-trimethyl-N-(3-propan-2-yloxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 113302687
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine (CID 115400409) is (1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine is CC(C)C(CNC1C(C)(C)[C@H]2CC[C@]1(C)C2)N1CCCC1.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is BUAANMJIFJLRPY-BOMAWHNGSA-N. The full InChI is InChI=1S/C19H36N2/c1-14(2)16(21-10-6-7-11-21)13-20-17-18(3,4)15-8-9-19(17,5)12-15/h14-17,20H,6-13H2,1-5H3/t15-,16?,17?,19+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine?
(1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 292.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).