(2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine

C15H32N2 — CID 172961603

IUPAC(2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine
SMILESCCC/C(CC)=N/N[C@H](C)CCCC(C)(C)C
InChIInChI=1S/C15H32N2/c1-7-10-14(8-2)17-16-13(3)11-9-12-15(4,5)6/h13,16H,7-12H2,1-6H3/b17-14+/t13-/m1/s1
InChIKeyCUMLCBMOZMFITK-UDIPDBSGSA-N
MW240.43 g/mol
LogP4.75
Rot. Bonds8

About (2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine

(2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine (PubChem CID 172961603) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is (2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine
PubChem CID172961603
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name(2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine
SMILESCCC/C(CC)=N/N[C@H](C)CCCC(C)(C)C
InChIInChI=1S/C15H32N2/c1-7-10-14(8-2)17-16-13(3)11-9-12-15(4,5)6/h13,16H,7-12H2,1-6H3/b17-14+/t13-/m1/s1
InChIKeyCUMLCBMOZMFITK-UDIPDBSGSA-N
XLogP4.75
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 ≤ 54.75
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

(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine
CID 166938089
N-ethyl-7,7-dimethyloctan-2-amine
CID 64504249
2,2,6,7-tetramethylundecane
CID 123602815
2,2,6-trimethyloctane
CID 522006
2-(pentan-2-ylamino)guanidine;hydroiodide
CID 86590625
2,2,7-trimethylundecane
CID 57491501
8,8-dimethylnonan-4-one
CID 61481441
azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium
CID 174553158
2,2-dimethylhexane
CID 169424592
6,6-dimethyl-N-[3-(prop-2-enylideneamino)buta-1,3-dien-2-yl]heptan-2-amine
CID 89114404
9,9-dimethyldecan-4-ol
CID 18798749
2,2-dimethyldodecan-6-ol
CID 175569881

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine?
The IUPAC name of (2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine (CID 172961603) is (2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine.
What is the SMILES notation for (2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine?
The canonical SMILES for (2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine is CCC/C(CC)=N/N[C@H](C)CCCC(C)(C)C.
What is the InChIKey of (2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine?
The InChIKey is CUMLCBMOZMFITK-UDIPDBSGSA-N. The full InChI is InChI=1S/C15H32N2/c1-7-10-14(8-2)17-16-13(3)11-9-12-15(4,5)6/h13,16H,7-12H2,1-6H3/b17-14+/t13-/m1/s1.
What are the key properties of (2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine?
(2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine has a molecular weight of 240.43 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine is sourced from PubChem (CID 172961603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).