N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine

C12H23N5 — CID 107420733

IUPACN-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1CC1CCCC1C
InChIInChI=1S/C12H23N5/c1-9(2)13-7-12-14-15-16-17(12)8-11-6-4-5-10(11)3/h9-11,13H,4-8H2,1-3H3
InChIKeyIHPHIGAKEQAPOR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.61
Rot. Bonds5

About N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine

N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 107420733) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
PubChem CID107420733
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1CC1CCCC1C
InChIInChI=1S/C12H23N5/c1-9(2)13-7-12-14-15-16-17(12)8-11-6-4-5-10(11)3/h9-11,13H,4-8H2,1-3H3
InChIKeyIHPHIGAKEQAPOR-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62762045
N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
CID 114130100
5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole
CID 62736064
1-[1-(cyclobutylmethyl)tetrazol-5-yl]-N-methylmethanamine
CID 62735754
N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine
CID 63228032
N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
CID 114125134
N-[[1-(2,2-dimethylcyclopropyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62763307
N-[[1-(cyclobutylmethyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735756
N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine
CID 114121872
N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine
CID 114130101
N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62736869
N-[[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 80732011

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine (CID 107420733) is N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nnnn1CC1CCCC1C.
What is the InChIKey of N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is IHPHIGAKEQAPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9(2)13-7-12-14-15-16-17(12)8-11-6-4-5-10(11)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 107420733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).