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

C11H23N5 — CID 62761889

IUPACN-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine
SMILESCCCCCC(C)n1nnnc1CNCC
InChIInChI=1S/C11H23N5/c1-4-6-7-8-10(3)16-11(9-12-5-2)13-14-15-16/h10,12H,4-9H2,1-3H3
InChIKeyFPVBAPPFTBUAHT-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.92
Rot. Bonds8

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

N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine (PubChem CID 62761889) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine
PubChem CID62761889
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine
SMILESCCCCCC(C)n1nnnc1CNCC
InChIInChI=1S/C11H23N5/c1-4-6-7-8-10(3)16-11(9-12-5-2)13-14-15-16/h10,12H,4-9H2,1-3H3
InChIKeyFPVBAPPFTBUAHT-UHFFFAOYSA-N
XLogP1.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.92
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-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 62761353
N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine
CID 62761892
N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 64644246
N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
CID 103085937
N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 62763674
N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 63292400
2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761534
3-(5-nonyltetrazol-1-yl)butanoic acid
CID 66043035
N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 62761157
N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine
CID 62994621
N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 62763303
4-methyl-3-(1-octan-2-yltetrazol-5-yl)aniline
CID 61477974

Frequently Asked Questions

What is the IUPAC name of N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine (CID 62761889) is N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine is CCCCCC(C)n1nnnc1CNCC.
What is the InChIKey of N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine?
The InChIKey is FPVBAPPFTBUAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-4-6-7-8-10(3)16-11(9-12-5-2)13-14-15-16/h10,12H,4-9H2,1-3H3.
What are the key properties of N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine?
N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.92, 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]ethanamine is sourced from PubChem (CID 62761889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).