N,3,5-trimethyl-4-propan-2-ylheptan-1-imine

C13H27N — CID 123261638

IUPACN,3,5-trimethyl-4-propan-2-ylheptan-1-imine
SMILESCCC(C)C(C(C)C)C(C)C/C=N/C
InChIInChI=1S/C13H27N/c1-7-11(4)13(10(2)3)12(5)8-9-14-6/h9-13H,7-8H2,1-6H3/b14-9+
InChIKeyYFXHWDBCSIQYES-NTEUORMPSA-N
MW197.37 g/mol
LogP4.03
Rot. Bonds6

About N,3,5-trimethyl-4-propan-2-ylheptan-1-imine

N,3,5-trimethyl-4-propan-2-ylheptan-1-imine (PubChem CID 123261638) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,3,5-trimethyl-4-propan-2-ylheptan-1-imine.

Molecular Properties

Compound NameN,3,5-trimethyl-4-propan-2-ylheptan-1-imine
PubChem CID123261638
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,3,5-trimethyl-4-propan-2-ylheptan-1-imine
SMILESCCC(C)C(C(C)C)C(C)C/C=N/C
InChIInChI=1S/C13H27N/c1-7-11(4)13(10(2)3)12(5)8-9-14-6/h9-13H,7-8H2,1-6H3/b14-9+
InChIKeyYFXHWDBCSIQYES-NTEUORMPSA-N
XLogP4.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
CID 57493037
4-butan-2-yl-2,3,5,6-tetramethylheptane
CID 123598520
3-ethyl-N-methylhexan-1-imine
CID 142964967
3,5-dimethyl-4-propan-2-ylundecane
CID 123891253
7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
CID 90819140
cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane
CID 142072812
(4R)-3-ethyl-4-methylhexane
CID 59954491
4-ethyl-2-methyl-3-propan-2-ylheptane
CID 57491433
4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine
CID 123337805
N-(2-methyliminoethyl)-N-propan-2-ylpropan-2-amine
CID 146690790
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-4-propan-2-ylheptan-1-imine?
The IUPAC name of N,3,5-trimethyl-4-propan-2-ylheptan-1-imine (CID 123261638) is N,3,5-trimethyl-4-propan-2-ylheptan-1-imine.
What is the SMILES notation for N,3,5-trimethyl-4-propan-2-ylheptan-1-imine?
The canonical SMILES for N,3,5-trimethyl-4-propan-2-ylheptan-1-imine is CCC(C)C(C(C)C)C(C)C/C=N/C.
What is the InChIKey of N,3,5-trimethyl-4-propan-2-ylheptan-1-imine?
The InChIKey is YFXHWDBCSIQYES-NTEUORMPSA-N. The full InChI is InChI=1S/C13H27N/c1-7-11(4)13(10(2)3)12(5)8-9-14-6/h9-13H,7-8H2,1-6H3/b14-9+.
What are the key properties of N,3,5-trimethyl-4-propan-2-ylheptan-1-imine?
N,3,5-trimethyl-4-propan-2-ylheptan-1-imine has a molecular weight of 197.37 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-4-propan-2-ylheptan-1-imine is sourced from PubChem (CID 123261638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).