(4S)-4-methylcyclobuten-1-amine

C5H9N — CID 164996658

IUPAC(4S)-4-methylcyclobuten-1-amine
SMILESC[C@H]1CC=C1N
InChIInChI=1S/C5H9N/c1-4-2-3-5(4)6/h3-4H,2,6H2,1H3/t4-/m0/s1
InChIKeyHQNBOJANRVRVAH-BYPYZUCNSA-N
MW83.13 g/mol
LogP0.87
Rot. Bonds

About (4S)-4-methylcyclobuten-1-amine

(4S)-4-methylcyclobuten-1-amine (PubChem CID 164996658) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is (4S)-4-methylcyclobuten-1-amine.

Molecular Properties

Compound Name(4S)-4-methylcyclobuten-1-amine
PubChem CID164996658
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name(4S)-4-methylcyclobuten-1-amine
SMILESC[C@H]1CC=C1N
InChIInChI=1S/C5H9N/c1-4-2-3-5(4)6/h3-4H,2,6H2,1H3/t4-/m0/s1
InChIKeyHQNBOJANRVRVAH-BYPYZUCNSA-N
XLogP0.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 88976723
CID 174065515
CID 174065515
5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
CID 163507973
(3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine
CID 170380679
6-methyltricyclo[3.3.0.02,8]oct-4-ene
CID 163855748
(4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine
CID 163863407
8-amino-5-methyl-5,6-dihydronaphthalen-2-ol
CID 163433999
2,3,6-trimethyl-3,4-dihydropyridine
CID 77393437
(5S)-5-methylcyclohexen-1-amine
CID 163541060
3,6-dimethylcyclohexa-1,4-diene-1,4-diamine
CID 173312248
(4-methylcyclobuten-1-yl)benzene
CID 173414108
4-methyl-1-(2-methylpropyl)cyclobutene
CID 123924362

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methylcyclobuten-1-amine?
The IUPAC name of (4S)-4-methylcyclobuten-1-amine (CID 164996658) is (4S)-4-methylcyclobuten-1-amine.
What is the SMILES notation for (4S)-4-methylcyclobuten-1-amine?
The canonical SMILES for (4S)-4-methylcyclobuten-1-amine is C[C@H]1CC=C1N.
What is the InChIKey of (4S)-4-methylcyclobuten-1-amine?
The InChIKey is HQNBOJANRVRVAH-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9N/c1-4-2-3-5(4)6/h3-4H,2,6H2,1H3/t4-/m0/s1.
What are the key properties of (4S)-4-methylcyclobuten-1-amine?
(4S)-4-methylcyclobuten-1-amine has a molecular weight of 83.13 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methylcyclobuten-1-amine is sourced from PubChem (CID 164996658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).