N-hexyl-2-methylpropan-1-imine

C10H21N — CID 10103373

IUPACN-hexyl-2-methylpropan-1-imine
SMILESCCCCCC/N=C/C(C)C
InChIInChI=1S/C10H21N/c1-4-5-6-7-8-11-9-10(2)3/h9-10H,4-8H2,1-3H3/b11-9+
InChIKeyXRCSPQGZTFNGMK-PKNBQFBNSA-N
MW155.28 g/mol
LogP3.29
Rot. Bonds6

About N-hexyl-2-methylpropan-1-imine

N-hexyl-2-methylpropan-1-imine (PubChem CID 10103373) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-hexyl-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-hexyl-2-methylpropan-1-imine
PubChem CID10103373
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-hexyl-2-methylpropan-1-imine
SMILESCCCCCC/N=C/C(C)C
InChIInChI=1S/C10H21N/c1-4-5-6-7-8-11-9-10(2)3/h9-10H,4-8H2,1-3H3/b11-9+
InChIKeyXRCSPQGZTFNGMK-PKNBQFBNSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isopentylidene isopentylamine
CID 118823
1,6-Hexanediamine, N1,N6-bis(2-methylpropylidene)-
CID 6451166
1,5-Pentanediamine, 2-methyl-N,N'-bis(2-methylpropylidene)-
CID 44149346
N-(2-Methylpropylidene)-butylamine
CID 138856
N-Isobutylideneisobutylamine
CID 111244
1-Butanamine, 2-methyl-N-(2-methylbutylidene)-
CID 521517
N-(2-methylpropylidene)-3-methylbutanamine
CID 90438111
1-Butanamine, N-pentylidene-
CID 545363
1-Propanamine, N-butylidene-2-methyl-
CID 10374477
1-Hexanamine, N-hexylidene-
CID 11126932
(1E)-N-Pentylpentan-1-imine
CID 12418700
N-heptylheptan-1-imine
CID 13262439

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-methylpropan-1-imine?
The IUPAC name of N-hexyl-2-methylpropan-1-imine (CID 10103373) is N-hexyl-2-methylpropan-1-imine.
What is the SMILES notation for N-hexyl-2-methylpropan-1-imine?
The canonical SMILES for N-hexyl-2-methylpropan-1-imine is CCCCCC/N=C/C(C)C.
What is the InChIKey of N-hexyl-2-methylpropan-1-imine?
The InChIKey is XRCSPQGZTFNGMK-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21N/c1-4-5-6-7-8-11-9-10(2)3/h9-10H,4-8H2,1-3H3/b11-9+.
What are the key properties of N-hexyl-2-methylpropan-1-imine?
N-hexyl-2-methylpropan-1-imine has a molecular weight of 155.28 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-methylpropan-1-imine is sourced from PubChem (CID 10103373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).