N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine

C18H39N — CID 154627419

IUPACN-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCN(CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H39N/c1-16(2,3)12-10-14-19(18(7,8)9)15-11-13-17(4,5)6/h10-15H2,1-9H3
InChIKeyWAOVVFVWIYRIFH-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.74
Rot. Bonds6

About N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine

N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine (PubChem CID 154627419) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine
PubChem CID154627419
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCN(CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H39N/c1-16(2,3)12-10-14-19(18(7,8)9)15-11-13-17(4,5)6/h10-15H2,1-9H3
InChIKeyWAOVVFVWIYRIFH-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-N-hexadecylhexadecan-1-amine;hydrochloride
CID 173228720
N-tert-butyl-N,7,7-trimethyloctan-1-amine
CID 176737662
N-butyl-N,4,4-trimethylpentan-1-amine
CID 58300817
4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol
CID 101011779
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218
molecular hydrogen;2,2,6,6-tetramethylheptane
CID 169194475
potassium 4,4-dimethylpentan-1-olate
CID 175567265
azane;2-methyl-N,N-dipropylpropan-2-amine
CID 87497520
4,4-dimethylpentan-1-ol;tungsten
CID 140674577
4,4-dimethylpentan-1-amine
CID 14454757
2,2-dimethylhexane
CID 169424592
3-[tert-butyl(ethyl)amino]propan-1-ol
CID 138079476

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine (CID 154627419) is N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine is CC(C)(C)CCCN(CCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine?
The InChIKey is WAOVVFVWIYRIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-16(2,3)12-10-14-19(18(7,8)9)15-11-13-17(4,5)6/h10-15H2,1-9H3.
What are the key properties of N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine?
N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 154627419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).