3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine

C12H25N — CID 89195438

IUPAC3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine
SMILESC=CC(CC)NC(C)C(C)(C)CC
InChIInChI=1S/C12H25N/c1-7-11(8-2)13-10(4)12(5,6)9-3/h7,10-11,13H,1,8-9H2,2-6H3
InChIKeySFFDFSRQKHGORA-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds6

About 3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine

3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine (PubChem CID 89195438) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine
PubChem CID89195438
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine
SMILESC=CC(CC)NC(C)C(C)(C)CC
InChIInChI=1S/C12H25N/c1-7-11(8-2)13-10(4)12(5,6)9-3/h7,10-11,13H,1,8-9H2,2-6H3
InChIKeySFFDFSRQKHGORA-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
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 3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine?
The IUPAC name of 3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine (CID 89195438) is 3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine is C=CC(CC)NC(C)C(C)(C)CC.
What is the InChIKey of 3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine?
The InChIKey is SFFDFSRQKHGORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-7-11(8-2)13-10(4)12(5,6)9-3/h7,10-11,13H,1,8-9H2,2-6H3.
What are the key properties of 3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine?
3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-pent-1-en-3-ylpentan-2-amine is sourced from PubChem (CID 89195438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).