N-[(E)-hexan-2-ylideneamino]propan-2-amine

C9H20N2 — CID 19887762

IUPACN-[(E)-hexan-2-ylideneamino]propan-2-amine
SMILESCCCC/C(C)=N/NC(C)C
InChIInChI=1S/C9H20N2/c1-5-6-7-9(4)11-10-8(2)3/h8,10H,5-7H2,1-4H3/b11-9+
InChIKeyLRNVBRQKTDVTDL-PKNBQFBNSA-N
MW156.27 g/mol
LogP2.55
Rot. Bonds5

About N-[(E)-hexan-2-ylideneamino]propan-2-amine

N-[(E)-hexan-2-ylideneamino]propan-2-amine (PubChem CID 19887762) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-[(E)-hexan-2-ylideneamino]propan-2-amine.

Molecular Properties

Compound NameN-[(E)-hexan-2-ylideneamino]propan-2-amine
PubChem CID19887762
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-[(E)-hexan-2-ylideneamino]propan-2-amine
SMILESCCCC/C(C)=N/NC(C)C
InChIInChI=1S/C9H20N2/c1-5-6-7-9(4)11-10-8(2)3/h8,10H,5-7H2,1-4H3/b11-9+
InChIKeyLRNVBRQKTDVTDL-PKNBQFBNSA-N
XLogP2.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propanone, (1-methylethyl)hydrazone
CID 139019
2-Butanone, ethylhydrazone
CID 535835
cis-3.5-Dimethylpyrazolin
CID 12066842
Di-n-propyl ketone n-propylhydrazone
CID 144789
2-Pyrazoline, 3-ethyl-5-methyl
CID 91751205
Methylethylketone ethylhydrazone
CID 9601421
12,13-Diazabicyclo[9.2.1]tetradec-1(13)-ene
CID 121011024
Cyclopropylhydrazonopentane
CID 129801366
2-Butanone ethyl hydrazone
CID 5363016
Sec-butylhydrazone methylethylketone
CID 5363022
Methylethylketone sec-butylhydrazone
CID 9601425
2-Butanone sec-butyl hydrazone
CID 535880

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hexan-2-ylideneamino]propan-2-amine?
The IUPAC name of N-[(E)-hexan-2-ylideneamino]propan-2-amine (CID 19887762) is N-[(E)-hexan-2-ylideneamino]propan-2-amine.
What is the SMILES notation for N-[(E)-hexan-2-ylideneamino]propan-2-amine?
The canonical SMILES for N-[(E)-hexan-2-ylideneamino]propan-2-amine is CCCC/C(C)=N/NC(C)C.
What is the InChIKey of N-[(E)-hexan-2-ylideneamino]propan-2-amine?
The InChIKey is LRNVBRQKTDVTDL-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-6-7-9(4)11-10-8(2)3/h8,10H,5-7H2,1-4H3/b11-9+.
What are the key properties of N-[(E)-hexan-2-ylideneamino]propan-2-amine?
N-[(E)-hexan-2-ylideneamino]propan-2-amine has a molecular weight of 156.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hexan-2-ylideneamino]propan-2-amine is sourced from PubChem (CID 19887762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).