1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine

C9H17N — CID 114472570

IUPAC1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine
SMILESC=C(C)CCNC1(C)CC1
InChIInChI=1S/C9H17N/c1-8(2)4-7-10-9(3)5-6-9/h10H,1,4-7H2,2-3H3
InChIKeyPWTPDNAPVWRBGW-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds4

About 1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine

1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine (PubChem CID 114472570) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine
PubChem CID114472570
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine
SMILESC=C(C)CCNC1(C)CC1
InChIInChI=1S/C9H17N/c1-8(2)4-7-10-9(3)5-6-9/h10H,1,4-7H2,2-3H3
InChIKeyPWTPDNAPVWRBGW-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine?
The IUPAC name of 1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine (CID 114472570) is 1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine.
What is the SMILES notation for 1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine?
The canonical SMILES for 1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine is C=C(C)CCNC1(C)CC1.
What is the InChIKey of 1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine?
The InChIKey is PWTPDNAPVWRBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)4-7-10-9(3)5-6-9/h10H,1,4-7H2,2-3H3.
What are the key properties of 1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine?
1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine is sourced from PubChem (CID 114472570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).