4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine

C13H25N5 — CID 65091708

IUPAC4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
SMILESCCCC1CCCC(NC(C)c2nn[nH]n2)CC1
InChIInChI=1S/C13H25N5/c1-3-5-11-6-4-7-12(9-8-11)14-10(2)13-15-17-18-16-13/h10-12,14H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyULNSQOKBMKUBGQ-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.60
Rot. Bonds5

About 4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine

4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine (PubChem CID 65091708) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
PubChem CID65091708
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
SMILESCCCC1CCCC(NC(C)c2nn[nH]n2)CC1
InChIInChI=1S/C13H25N5/c1-3-5-11-6-4-7-12(9-8-11)14-10(2)13-15-17-18-16-13/h10-12,14H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyULNSQOKBMKUBGQ-UHFFFAOYSA-N
XLogP2.60
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
CID 65079885
4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
CID 65089449
4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
4-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cycloheptan-1-amine
CID 106282309
3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine
CID 106872020
4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
CID 65087116
N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
CID 113457752
N-[1-(2,6-difluorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 65091642
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 81365897
N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091481
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
CID 65091606

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
The IUPAC name of 4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine (CID 65091708) is 4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine is CCCC1CCCC(NC(C)c2nn[nH]n2)CC1.
What is the InChIKey of 4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
The InChIKey is ULNSQOKBMKUBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-5-11-6-4-7-12(9-8-11)14-10(2)13-15-17-18-16-13/h10-12,14H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 65091708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).