N,N-dibutyl-2,4,4-trimethylpentan-2-amine

C16H35N — CID 139722875

IUPACN,N-dibutyl-2,4,4-trimethylpentan-2-amine
SMILESCCCCN(CCCC)C(C)(C)CC(C)(C)C
InChIInChI=1S/C16H35N/c1-8-10-12-17(13-11-9-2)16(6,7)14-15(3,4)5/h8-14H2,1-7H3
InChIKeyAVZAEROFFLYZLN-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.10
Rot. Bonds8

About N,N-dibutyl-2,4,4-trimethylpentan-2-amine

N,N-dibutyl-2,4,4-trimethylpentan-2-amine (PubChem CID 139722875) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N,N-dibutyl-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-2,4,4-trimethylpentan-2-amine
PubChem CID139722875
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN,N-dibutyl-2,4,4-trimethylpentan-2-amine
SMILESCCCCN(CCCC)C(C)(C)CC(C)(C)C
InChIInChI=1S/C16H35N/c1-8-10-12-17(13-11-9-2)16(6,7)14-15(3,4)5/h8-14H2,1-7H3
InChIKeyAVZAEROFFLYZLN-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N,N-dibutyl-2,4,4-trimethylpentan-2-amine (CID 139722875) is N,N-dibutyl-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N,N-dibutyl-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N,N-dibutyl-2,4,4-trimethylpentan-2-amine is CCCCN(CCCC)C(C)(C)CC(C)(C)C.
What is the InChIKey of N,N-dibutyl-2,4,4-trimethylpentan-2-amine?
The InChIKey is AVZAEROFFLYZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-8-10-12-17(13-11-9-2)16(6,7)14-15(3,4)5/h8-14H2,1-7H3.
What are the key properties of N,N-dibutyl-2,4,4-trimethylpentan-2-amine?
N,N-dibutyl-2,4,4-trimethylpentan-2-amine has a molecular weight of 241.46 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 139722875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).