2,2-dimethyl-4-propyliminopentan-3-amine

C10H22N2 — CID 123322895

IUPAC2,2-dimethyl-4-propyliminopentan-3-amine
SMILESCCC/N=C(\C)C(N)C(C)(C)C
InChIInChI=1S/C10H22N2/c1-6-7-12-8(2)9(11)10(3,4)5/h9H,6-7,11H2,1-5H3/b12-8+
InChIKeyBNAQKEWDQNRWSK-XYOKQWHBSA-N
MW170.30 g/mol
LogP2.23
Rot. Bonds3

About 2,2-dimethyl-4-propyliminopentan-3-amine

2,2-dimethyl-4-propyliminopentan-3-amine (PubChem CID 123322895) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-propyliminopentan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-propyliminopentan-3-amine
PubChem CID123322895
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2,2-dimethyl-4-propyliminopentan-3-amine
SMILESCCC/N=C(\C)C(N)C(C)(C)C
InChIInChI=1S/C10H22N2/c1-6-7-12-8(2)9(11)10(3,4)5/h9H,6-7,11H2,1-5H3/b12-8+
InChIKeyBNAQKEWDQNRWSK-XYOKQWHBSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propyliminopentan-3-amine?
The IUPAC name of 2,2-dimethyl-4-propyliminopentan-3-amine (CID 123322895) is 2,2-dimethyl-4-propyliminopentan-3-amine.
What is the SMILES notation for 2,2-dimethyl-4-propyliminopentan-3-amine?
The canonical SMILES for 2,2-dimethyl-4-propyliminopentan-3-amine is CCC/N=C(\C)C(N)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-4-propyliminopentan-3-amine?
The InChIKey is BNAQKEWDQNRWSK-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-7-12-8(2)9(11)10(3,4)5/h9H,6-7,11H2,1-5H3/b12-8+.
What are the key properties of 2,2-dimethyl-4-propyliminopentan-3-amine?
2,2-dimethyl-4-propyliminopentan-3-amine has a molecular weight of 170.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propyliminopentan-3-amine is sourced from PubChem (CID 123322895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).