N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

C13H25N5 — CID 107048630

IUPACN-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)C1CCCCC1
InChIInChI=1S/C13H25N5/c1-3-9-14-12(11-7-5-4-6-8-11)10-13-15-17-18(2)16-13/h11-12,14H,3-10H2,1-2H3
InChIKeyNKYNSERWUGGJGT-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.70
Rot. Bonds6

About N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 107048630) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID107048630
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)C1CCCCC1
InChIInChI=1S/C13H25N5/c1-3-9-14-12(11-7-5-4-6-8-11)10-13-15-17-18(2)16-13/h11-12,14H,3-10H2,1-2H3
InChIKeyNKYNSERWUGGJGT-UHFFFAOYSA-N
XLogP1.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107044752
1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048433
1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065022
N-[1-(1,4-dithian-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050245
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
[1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066163
1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049334
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine
CID 107044665
N-[2-[(2-methyltetrazol-5-yl)methyl]pentyl]cyclopropanamine
CID 107052904
2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053577

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (CID 107048630) is N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1nnn(C)n1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is NKYNSERWUGGJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-9-14-12(11-7-5-4-6-8-11)10-13-15-17-18(2)16-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107048630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).