N,N,2,3,3,4,4-heptamethylpentan-2-amine

C12H27N — CID 58769187

IUPACN,N,2,3,3,4,4-heptamethylpentan-2-amine
SMILESCN(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-10(2,3)11(4,5)12(6,7)13(8)9/h1-9H3
InChIKeyYCJRXMOZJHFYGA-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds2

About N,N,2,3,3,4,4-heptamethylpentan-2-amine

N,N,2,3,3,4,4-heptamethylpentan-2-amine (PubChem CID 58769187) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,N,2,3,3,4,4-heptamethylpentan-2-amine.

Molecular Properties

Compound NameN,N,2,3,3,4,4-heptamethylpentan-2-amine
PubChem CID58769187
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,N,2,3,3,4,4-heptamethylpentan-2-amine
SMILESCN(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-10(2,3)11(4,5)12(6,7)13(8)9/h1-9H3
InChIKeyYCJRXMOZJHFYGA-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

n,n,2,4,4-Pentamethylpentan-2-amine
CID 221336
Hexamethylpropyleamine
CID 122476
Dimethyl-(1,1,2,2,3-pentamethyl-butyl)-amine
CID 22091691
N,N-Diethyl-tert-octylamine,98
CID 3341692
N,N,N-Trimethyl t-octylammonium iodide
CID 85835763
2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine
CID 121014193
N,N,2,3,3-pentamethylpentan-2-amine
CID 12991867
N-ethyl-N,2,4,4-tetramethylpentan-2-amine
CID 10702324
2,4,4-trimethyl-N,N-dipropylpentan-2-amine
CID 15544233
2-N,2-N,4-N,4-N,2,3,3,4-octamethylpentane-2,4-diamine
CID 18339679
Trimethyl(2,4,4-trimethylpentan-2-yl)azanium
CID 19067539
Trimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide
CID 19067543

Frequently Asked Questions

What is the IUPAC name of N,N,2,3,3,4,4-heptamethylpentan-2-amine?
The IUPAC name of N,N,2,3,3,4,4-heptamethylpentan-2-amine (CID 58769187) is N,N,2,3,3,4,4-heptamethylpentan-2-amine.
What is the SMILES notation for N,N,2,3,3,4,4-heptamethylpentan-2-amine?
The canonical SMILES for N,N,2,3,3,4,4-heptamethylpentan-2-amine is CN(C)C(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of N,N,2,3,3,4,4-heptamethylpentan-2-amine?
The InChIKey is YCJRXMOZJHFYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-10(2,3)11(4,5)12(6,7)13(8)9/h1-9H3.
What are the key properties of N,N,2,3,3,4,4-heptamethylpentan-2-amine?
N,N,2,3,3,4,4-heptamethylpentan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3,3,4,4-heptamethylpentan-2-amine is sourced from PubChem (CID 58769187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).