3-(pentan-2-ylideneamino)hexan-1-amine

C11H24N2 — CID 90813564

IUPAC3-(pentan-2-ylideneamino)hexan-1-amine
SMILESCCC/C(C)=N/C(CCC)CCN
InChIInChI=1S/C11H24N2/c1-4-6-10(3)13-11(7-5-2)8-9-12/h11H,4-9,12H2,1-3H3/b13-10+
InChIKeyKCAAGSBFFYBYDA-JLHYYAGUSA-N
MW184.33 g/mol
LogP2.76
Rot. Bonds7

About 3-(pentan-2-ylideneamino)hexan-1-amine

3-(pentan-2-ylideneamino)hexan-1-amine (PubChem CID 90813564) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-(pentan-2-ylideneamino)hexan-1-amine.

Molecular Properties

Compound Name3-(pentan-2-ylideneamino)hexan-1-amine
PubChem CID90813564
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-(pentan-2-ylideneamino)hexan-1-amine
SMILESCCC/C(C)=N/C(CCC)CCN
InChIInChI=1S/C11H24N2/c1-4-6-10(3)13-11(7-5-2)8-9-12/h11H,4-9,12H2,1-3H3/b13-10+
InChIKeyKCAAGSBFFYBYDA-JLHYYAGUSA-N
XLogP2.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.76
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 3-(pentan-2-ylideneamino)hexan-1-amine?
The IUPAC name of 3-(pentan-2-ylideneamino)hexan-1-amine (CID 90813564) is 3-(pentan-2-ylideneamino)hexan-1-amine.
What is the SMILES notation for 3-(pentan-2-ylideneamino)hexan-1-amine?
The canonical SMILES for 3-(pentan-2-ylideneamino)hexan-1-amine is CCC/C(C)=N/C(CCC)CCN.
What is the InChIKey of 3-(pentan-2-ylideneamino)hexan-1-amine?
The InChIKey is KCAAGSBFFYBYDA-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-6-10(3)13-11(7-5-2)8-9-12/h11H,4-9,12H2,1-3H3/b13-10+.
What are the key properties of 3-(pentan-2-ylideneamino)hexan-1-amine?
3-(pentan-2-ylideneamino)hexan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentan-2-ylideneamino)hexan-1-amine is sourced from PubChem (CID 90813564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).