4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine

C16H35N — CID 123887044

IUPAC4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine
SMILESCCCC(C)C(C)NC(C)CC(C)CC(C)C
InChIInChI=1S/C16H35N/c1-8-9-14(5)16(7)17-15(6)11-13(4)10-12(2)3/h12-17H,8-11H2,1-7H3
InChIKeyBNWFYMZYNMZPDL-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.86
Rot. Bonds9

About 4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine

4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine (PubChem CID 123887044) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine
PubChem CID123887044
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine
SMILESCCCC(C)C(C)NC(C)CC(C)CC(C)C
InChIInChI=1S/C16H35N/c1-8-9-14(5)16(7)17-15(6)11-13(4)10-12(2)3/h12-17H,8-11H2,1-7H3
InChIKeyBNWFYMZYNMZPDL-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2,4,6,8,10-pentamethyltridecane
CID 20715673
N-(4-methylpentan-2-yl)heptan-4-amine
CID 43371859
2,4-dimethyl-6-propylnonane
CID 57492214
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine
CID 107887573
propane;2,4,6-trimethylheptane
CID 165013878
4,5,7-trimethyldecane
CID 57490926
(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
2,5-dimethyl-4-propyloctane
CID 57491236

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine?
The IUPAC name of 4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine (CID 123887044) is 4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine is CCCC(C)C(C)NC(C)CC(C)CC(C)C.
What is the InChIKey of 4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine?
The InChIKey is BNWFYMZYNMZPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-8-9-14(5)16(7)17-15(6)11-13(4)10-12(2)3/h12-17H,8-11H2,1-7H3.
What are the key properties of 4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine?
4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine has a molecular weight of 241.46 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine is sourced from PubChem (CID 123887044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).