(1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine

C9H17N — CID 58309893

IUPAC(1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine
SMILESC=C(C(C)C)[C@@H](N)C1CC1
InChIInChI=1S/C9H17N/c1-6(2)7(3)9(10)8-4-5-8/h6,8-9H,3-5,10H2,1-2H3/t9-/m1/s1
InChIKeyMWKMTPXLTVQQFV-SECBINFHSA-N
MW139.24 g/mol
LogP1.94
Rot. Bonds3

About (1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine

(1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine (PubChem CID 58309893) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine
PubChem CID58309893
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine
SMILESC=C(C(C)C)[C@@H](N)C1CC1
InChIInChI=1S/C9H17N/c1-6(2)7(3)9(10)8-4-5-8/h6,8-9H,3-5,10H2,1-2H3/t9-/m1/s1
InChIKeyMWKMTPXLTVQQFV-SECBINFHSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-amino-1-cyclopropyl-3-methylbutan-2-one
CID 76751982
1-amino-1-cyclopropylpropan-2-one
CID 54079114
1-cyclopropylethanamine
CID 519239
(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one
CID 126487606
2-amino-2-cyclopropylacetyl chloride
CID 55289938
(1R)-1-amino-1-cyclopropylpropan-2-ol
CID 68935616
1-cyclopropyl-1-fluoropropan-2-amine
CID 105427110
3-methylbut-3-en-2-ylcyclopropane
CID 91068451
methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912
1-amino-1-cyclopropyl-2-methylpropan-2-ol
CID 67125150
1-[3-(1-aminoethyl)cyclopentyl]ethanamine
CID 68748757
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine?
The IUPAC name of (1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine (CID 58309893) is (1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine.
What is the SMILES notation for (1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine?
The canonical SMILES for (1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine is C=C(C(C)C)[C@@H](N)C1CC1.
What is the InChIKey of (1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine?
The InChIKey is MWKMTPXLTVQQFV-SECBINFHSA-N. The full InChI is InChI=1S/C9H17N/c1-6(2)7(3)9(10)8-4-5-8/h6,8-9H,3-5,10H2,1-2H3/t9-/m1/s1.
What are the key properties of (1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine?
(1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine is sourced from PubChem (CID 58309893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).