N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine

C14H21N5 — CID 63197921

IUPACN,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine
SMILESCNC(C)C(c1nnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C14H21N5/c1-10(2)13(11(3)15-4)14-16-17-18-19(14)12-8-6-5-7-9-12/h5-11,13,15H,1-4H3
InChIKeyINBCRCJAVNJZQZ-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.01
Rot. Bonds5

About N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine

N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine (PubChem CID 63197921) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine
PubChem CID63197921
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine
SMILESCNC(C)C(c1nnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C14H21N5/c1-10(2)13(11(3)15-4)14-16-17-18-19(14)12-8-6-5-7-9-12/h5-11,13,15H,1-4H3
InChIKeyINBCRCJAVNJZQZ-UHFFFAOYSA-N
XLogP2.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
CID 63199558
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
CID 119328864
1-phenyltetrazole-5-selenol
CID 173399228
N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine
CID 63199473
1-phenyl-5-propan-2-yloxytetrazole
CID 1263322
3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline
CID 154800577
ethyl 4-[5-[(S)-methylamino(phenyl)methyl]tetrazol-1-yl]benzoate
CID 41068641
(3aS,7aS)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 96518819
N-[1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71869849

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine?
The IUPAC name of N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine (CID 63197921) is N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine.
What is the SMILES notation for N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine?
The canonical SMILES for N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine is CNC(C)C(c1nnnn1-c1ccccc1)C(C)C.
What is the InChIKey of N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine?
The InChIKey is INBCRCJAVNJZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)13(11(3)15-4)14-16-17-18-19(14)12-8-6-5-7-9-12/h5-11,13,15H,1-4H3.
What are the key properties of N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine?
N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine has a molecular weight of 259.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine is sourced from PubChem (CID 63197921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).