1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine

C11H17N3 — CID 81406194

IUPAC1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
SMILESC[C@H](NC1CC(N)C1)c1ccncc1
InChIInChI=1S/C11H17N3/c1-8(9-2-4-13-5-3-9)14-11-6-10(12)7-11/h2-5,8,10-11,14H,6-7,12H2,1H3/t8-,10?,11?/m0/s1
InChIKeyNXAHURWUFGKBAA-PUSIOWJLSA-N
MW191.28 g/mol
LogP1.22
Rot. Bonds3

About 1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine

1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine (PubChem CID 81406194) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
PubChem CID81406194
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
SMILESC[C@H](NC1CC(N)C1)c1ccncc1
InChIInChI=1S/C11H17N3/c1-8(9-2-4-13-5-3-9)14-11-6-10(12)7-11/h2-5,8,10-11,14H,6-7,12H2,1H3/t8-,10?,11?/m0/s1
InChIKeyNXAHURWUFGKBAA-PUSIOWJLSA-N
XLogP1.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
CID 43751306
1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine
CID 81467260
3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
CID 43634103

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine (CID 81406194) is 1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine is C[C@H](NC1CC(N)C1)c1ccncc1.
What is the InChIKey of 1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine?
The InChIKey is NXAHURWUFGKBAA-PUSIOWJLSA-N. The full InChI is InChI=1S/C11H17N3/c1-8(9-2-4-13-5-3-9)14-11-6-10(12)7-11/h2-5,8,10-11,14H,6-7,12H2,1H3/t8-,10?,11?/m0/s1.
What are the key properties of 1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine?
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 81406194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).