1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine

C15H21N5 — CID 97338475

IUPAC1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine
SMILESCCC1(N[C@@H](C)c2ccc(-n3cnnn3)cc2)CCC1
InChIInChI=1S/C15H21N5/c1-3-15(9-4-10-15)17-12(2)13-5-7-14(8-6-13)20-11-16-18-19-20/h5-8,11-12,17H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyJUIIXENFYVRUJT-LBPRGKRZSA-N
MW271.37 g/mol
LogP2.65
Rot. Bonds5

About 1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine

1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine (PubChem CID 97338475) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine
PubChem CID97338475
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine
SMILESCCC1(N[C@@H](C)c2ccc(-n3cnnn3)cc2)CCC1
InChIInChI=1S/C15H21N5/c1-3-15(9-4-10-15)17-12(2)13-5-7-14(8-6-13)20-11-16-18-19-20/h5-8,11-12,17H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyJUIIXENFYVRUJT-LBPRGKRZSA-N
XLogP2.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine
CID 115920873
(1R,5S,6R)-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 124829224
cis-(1S,2R)-2-[(R)-ethylsulfinyl]-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
CID 97323461
N-[(1,1-dioxothiolan-2-yl)methyl]-1-[4-(tetrazol-1-yl)phenyl]ethanamine
CID 75471431
(1R)-N-[(1,1-dioxothian-4-yl)methyl]-1-[4-(tetrazol-1-yl)phenyl]ethanamine
CID 97108380
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210752
1-(1-adamantyloxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961145
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
CID 124637262
1-[4-(2-methylpropyl)phenyl]tetrazole
CID 153454015
2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid
CID 119218102
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
4-(tetrazol-1-yl)benzaldehyde
CID 55266152

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine (CID 97338475) is 1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine is CCC1(N[C@@H](C)c2ccc(-n3cnnn3)cc2)CCC1.
What is the InChIKey of 1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine?
The InChIKey is JUIIXENFYVRUJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-15(9-4-10-15)17-12(2)13-5-7-14(8-6-13)20-11-16-18-19-20/h5-8,11-12,17H,3-4,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine?
1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine has a molecular weight of 271.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 97338475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).