cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine

C17H43N3 — CID 142972611

IUPACcyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine
SMILESCC.CC(N)C(C)(C)C.CCCCNC.NCC1CC1
InChIInChI=1S/C6H15N.C5H13N.C4H9N.C2H6/c1-5(7)6(2,3)4;1-3-4-5-6-2;5-3-4-1-2-4;1-2/h5H,7H2,1-4H3;6H,3-5H2,1-2H3;4H,1-3,5H2;1-2H3
InChIKeyXAMGNRPJCGQXDG-UHFFFAOYSA-N
MW289.55 g/mol
LogP3.77
Rot. Bonds4

About cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine

cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine (PubChem CID 142972611) has the molecular formula C17H43N3 and a molecular weight of 289.55 g/mol. Its IUPAC name is cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine.

Molecular Properties

Compound Namecyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine
PubChem CID142972611
Molecular FormulaC17H43N3
Molecular Weight289.55 g/mol
Exact Mass289.35
IUPAC Namecyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine
SMILESCC.CC(N)C(C)(C)C.CCCCNC.NCC1CC1
InChIInChI=1S/C6H15N.C5H13N.C4H9N.C2H6/c1-5(7)6(2,3)4;1-3-4-5-6-2;5-3-4-1-2-4;1-2/h5H,7H2,1-4H3;6H,3-5H2,1-2H3;4H,1-3,5H2;1-2H3
InChIKeyXAMGNRPJCGQXDG-UHFFFAOYSA-N
XLogP3.77
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine?
The IUPAC name of cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine (CID 142972611) is cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine.
What is the SMILES notation for cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine?
The canonical SMILES for cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine is CC.CC(N)C(C)(C)C.CCCCNC.NCC1CC1.
What is the InChIKey of cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine?
The InChIKey is XAMGNRPJCGQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H13N.C4H9N.C2H6/c1-5(7)6(2,3)4;1-3-4-5-6-2;5-3-4-1-2-4;1-2/h5H,7H2,1-4H3;6H,3-5H2,1-2H3;4H,1-3,5H2;1-2H3.
What are the key properties of cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine?
cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine has a molecular weight of 289.55 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanamine;3,3-dimethylbutan-2-amine;ethane;N-methylbutan-1-amine is sourced from PubChem (CID 142972611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).