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

C11H21N5 — CID 62735579

IUPACN-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1CC1CCCC1
InChIInChI=1S/C11H21N5/c1-2-7-12-8-11-13-14-15-16(11)9-10-5-3-4-6-10/h10,12H,2-9H2,1H3
InChIKeyBZGJZQFNNVDMNS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.36
Rot. Bonds6

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

N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62735579) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62735579
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1CC1CCCC1
InChIInChI=1S/C11H21N5/c1-2-7-12-8-11-13-14-15-16(11)9-10-5-3-4-6-10/h10,12H,2-9H2,1H3
InChIKeyBZGJZQFNNVDMNS-UHFFFAOYSA-N
XLogP1.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62735579) is N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1CC1CCCC1.
What is the InChIKey of N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is BZGJZQFNNVDMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-2-7-12-8-11-13-14-15-16(11)9-10-5-3-4-6-10/h10,12H,2-9H2,1H3.
What are the key properties of N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62735579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).