N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine

C15H29N5 — CID 103086723

IUPACN-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C1CCCCC1C(C)C
InChIInChI=1S/C15H29N5/c1-5-10-16-12(4)15-17-18-19-20(15)14-9-7-6-8-13(14)11(2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyFVUOLHVFTRBWLN-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.12
Rot. Bonds6

About N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine

N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103086723) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103086723
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C1CCCCC1C(C)C
InChIInChI=1S/C15H29N5/c1-5-10-16-12(4)15-17-18-19-20(15)14-9-7-6-8-13(14)11(2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyFVUOLHVFTRBWLN-UHFFFAOYSA-N
XLogP3.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.12
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-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085850
N-[1-[1-(3-methylsulfanylcyclopentyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 114122719
1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085603
N-[1-[1-(1-cyclopropylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085495
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085944
N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086194
N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086242
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
N-[1-[1-(1-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086936
4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine
CID 63197289

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103086723) is N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1C1CCCCC1C(C)C.
What is the InChIKey of N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is FVUOLHVFTRBWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-10-16-12(4)15-17-18-19-20(15)14-9-7-6-8-13(14)11(2)3/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103086723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).