1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine

C15H24N6 — CID 62627239

IUPAC1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C15H24N6/c1-4-20(5-2)12-13(3)16-11-15-17-18-19-21(15)14-9-7-6-8-10-14/h6-10,13,16H,4-5,11-12H2,1-3H3
InChIKeyNFKGALWHLBBDKI-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.48
Rot. Bonds8

About 1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine

1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine (PubChem CID 62627239) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
PubChem CID62627239
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C15H24N6/c1-4-20(5-2)12-13(3)16-11-15-17-18-19-21(15)14-9-7-6-8-10-14/h6-10,13,16H,4-5,11-12H2,1-3H3
InChIKeyNFKGALWHLBBDKI-UHFFFAOYSA-N
XLogP1.48
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine
CID 62625643
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 62627609
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 60673289
1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60714049
1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 103893693
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine (CID 62627239) is 1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine is CCN(CC)CC(C)NCc1nnnn1-c1ccccc1.
What is the InChIKey of 1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine?
The InChIKey is NFKGALWHLBBDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-4-20(5-2)12-13(3)16-11-15-17-18-19-21(15)14-9-7-6-8-10-14/h6-10,13,16H,4-5,11-12H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine?
1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 62627239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).