N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine

C16H25N5 — CID 62529711

IUPACN-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
SMILESCCNCC(Cc1nnnn1-c1ccccc1)CC(C)C
InChIInChI=1S/C16H25N5/c1-4-17-12-14(10-13(2)3)11-16-18-19-20-21(16)15-8-6-5-7-9-15/h5-9,13-14,17H,4,10-12H2,1-3H3
InChIKeyCARJWADERHRTLT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.48
Rot. Bonds8

About N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine

N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine (PubChem CID 62529711) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
PubChem CID62529711
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
SMILESCCNCC(Cc1nnnn1-c1ccccc1)CC(C)C
InChIInChI=1S/C16H25N5/c1-4-17-12-14(10-13(2)3)11-16-18-19-20-21(16)15-8-6-5-7-9-15/h5-9,13-14,17H,4,10-12H2,1-3H3
InChIKeyCARJWADERHRTLT-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 62529368
N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62530302
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62531179
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
5-[2-(chloromethyl)butyl]-1-phenyltetrazole
CID 66035227
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 62530476
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63198408
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792
3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine
CID 63202229

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine (CID 62529711) is N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine is CCNCC(Cc1nnnn1-c1ccccc1)CC(C)C.
What is the InChIKey of N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine?
The InChIKey is CARJWADERHRTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-17-12-14(10-13(2)3)11-16-18-19-20-21(16)15-8-6-5-7-9-15/h5-9,13-14,17H,4,10-12H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine?
N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine is sourced from PubChem (CID 62529711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).