N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine

C15H29N5 — CID 103085850

IUPACN-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C1CCC(CCC)CC1
InChIInChI=1S/C15H29N5/c1-4-6-13-7-9-14(10-8-13)20-15(17-18-19-20)12(3)16-11-5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyIQRWJLRMBHKRMU-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.27
Rot. Bonds7

About N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine

N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103085850) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103085850
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C1CCC(CCC)CC1
InChIInChI=1S/C15H29N5/c1-4-6-13-7-9-14(10-8-13)20-15(17-18-19-20)12(3)16-11-5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyIQRWJLRMBHKRMU-UHFFFAOYSA-N
XLogP3.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086859
N-[1-[1-(3-methylsulfanylcyclopentyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 114122719
2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761526
N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086723
N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086242
N-ethyl-1-[1-(oxan-4-yl)tetrazol-5-yl]ethanamine
CID 103085524
N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine
CID 103087012
N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide
CID 86807912
N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83109972
3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea
CID 124730383
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
N-[1-[1-(1-cyclopropylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085495

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103085850) is N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1C1CCC(CCC)CC1.
What is the InChIKey of N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is IQRWJLRMBHKRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-4-6-13-7-9-14(10-8-13)20-15(17-18-19-20)12(3)16-11-5-2/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103085850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).