N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine

C13H25N5 — CID 100666541

IUPACN,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2nnnn2C(C)C)CC1
InChIInChI=1S/C13H25N5/c1-10(2)18-13(14-15-16-18)9-17(4)12-7-5-11(3)6-8-12/h10-12H,5-9H2,1-4H3
InChIKeyUDEYRFOJKSZPHO-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.26
Rot. Bonds4

About N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine

N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 100666541) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID100666541
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2nnnn2C(C)C)CC1
InChIInChI=1S/C13H25N5/c1-10(2)18-13(14-15-16-18)9-17(4)12-7-5-11(3)6-8-12/h10-12H,5-9H2,1-4H3
InChIKeyUDEYRFOJKSZPHO-UHFFFAOYSA-N
XLogP2.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexyl-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-methyl-amine
CID 6602534
Cyclohexyl-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-2-methylpropyl]methylamine
CID 648509
1-[1-(1-Cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 3173824
1-[(1-Cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine
CID 47022226
N-{[1-(cyclohexylmethyl)-1H-1,2,4-triazol-5-yl]methyl}-N-methylpropan-2-amine
CID 72866390
1-[[1-(2,2,2-Trifluoroethyl)tetrazol-5-yl]methyl]-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine
CID 119039656
1-Cyclohexyl-5-propan-2-yltetrazole
CID 153644677
(2R)-2-cyclohexyl-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]azepane
CID 100633502
(2S)-2-cyclohexyl-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]azepane
CID 100633514
(5aR,9aS)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine
CID 100633667
(5aS,9aS)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine
CID 100633678
2-Cyclohexyl-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]azepane
CID 119039654

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine (CID 100666541) is N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine is CC1CCC(N(C)Cc2nnnn2C(C)C)CC1.
What is the InChIKey of N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is UDEYRFOJKSZPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10(2)18-13(14-15-16-18)9-17(4)12-7-5-11(3)6-8-12/h10-12H,5-9H2,1-4H3.
What are the key properties of N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 100666541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).