2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine

C15H32N2 — CID 146512903

IUPAC2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine
SMILESCCCC(C)/C(C)=N/NCC(C)(C)C(C)CC
InChIInChI=1S/C15H32N2/c1-8-10-12(3)14(5)17-16-11-15(6,7)13(4)9-2/h12-13,16H,8-11H2,1-7H3/b17-14+
InChIKeyBTLKJTLOTCXMMH-SAPNQHFASA-N
MW240.43 g/mol
LogP4.46
Rot. Bonds8

About 2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine

2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine (PubChem CID 146512903) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine.

Molecular Properties

Compound Name2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine
PubChem CID146512903
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine
SMILESCCCC(C)/C(C)=N/NCC(C)(C)C(C)CC
InChIInChI=1S/C15H32N2/c1-8-10-12(3)14(5)17-16-11-15(6,7)13(4)9-2/h12-13,16H,8-11H2,1-7H3/b17-14+
InChIKeyBTLKJTLOTCXMMH-SAPNQHFASA-N
XLogP4.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.46
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

N,3-dimethylhexan-2-imine
CID 123371156
3-methyl-2-(2,2,2-trifluoroethylhydrazinylidene)hexanoic acid
CID 173113648
2,2,5-trimethyloctane-3,4-dione
CID 11191887
neodymium;tris(2,2,5-trimethyloctane-3,4-dione)
CID 175833712
λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)
CID 173200803
(6S)-4,6-dimethylnonan-5-one
CID 177467625
N'-tert-butyl-2-methylpentanehydrazide
CID 172682852
2-ethylbutanoic acid;2-methylpentanoic acid
CID 140982788
2,4,4,5-tetramethylheptan-2-ol
CID 123728080
2,5,5,6-tetramethyloctane
CID 53424276
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
2-(2-methylpentan-3-ylamino)pentanoic acid
CID 65055510

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine?
The IUPAC name of 2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine (CID 146512903) is 2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine.
What is the SMILES notation for 2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine?
The canonical SMILES for 2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine is CCCC(C)/C(C)=N/NCC(C)(C)C(C)CC.
What is the InChIKey of 2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine?
The InChIKey is BTLKJTLOTCXMMH-SAPNQHFASA-N. The full InChI is InChI=1S/C15H32N2/c1-8-10-12(3)14(5)17-16-11-15(6,7)13(4)9-2/h12-13,16H,8-11H2,1-7H3/b17-14+.
What are the key properties of 2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine?
2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-N-[(E)-3-methylhexan-2-ylideneamino]pentan-1-amine is sourced from PubChem (CID 146512903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).