N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine

C12H23N5 — CID 62761892

IUPACN-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine
SMILESCCCCCC(C)n1nnnc1CNC1CC1
InChIInChI=1S/C12H23N5/c1-3-4-5-6-10(2)17-12(14-15-16-17)9-13-11-7-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyYUOQWCDIZUTCTD-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.07
Rot. Bonds8

About N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine

N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine (PubChem CID 62761892) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine
PubChem CID62761892
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine
SMILESCCCCCC(C)n1nnnc1CNC1CC1
InChIInChI=1S/C12H23N5/c1-3-4-5-6-10(2)17-12(14-15-16-17)9-13-11-7-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyYUOQWCDIZUTCTD-UHFFFAOYSA-N
XLogP2.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.07
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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Related Compounds

N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine
CID 62761889
N-[[1-(3-methylbutan-2-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737264
N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 62761353
N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62763671
N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
CID 103085937
2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761534
N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 104766007
N-(3-methyloctyl)cyclopropanamine
CID 81018953
N-[[1-(2,2-dimethylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62761510
N-[[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 63243927
N-(3-methylpentadecyl)cyclopropanamine
CID 81020007
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 63999774

Frequently Asked Questions

What is the IUPAC name of N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine (CID 62761892) is N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine is CCCCCC(C)n1nnnc1CNC1CC1.
What is the InChIKey of N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine?
The InChIKey is YUOQWCDIZUTCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-4-5-6-10(2)17-12(14-15-16-17)9-13-11-7-8-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine?
N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine has a molecular weight of 237.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62761892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).