2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

C14H33N3 — CID 107445286

IUPAC2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCNC(C)(C)C
InChIInChI=1S/C14H33N3/c1-12(2)10-13(11-17(6)7)15-8-9-16-14(3,4)5/h12-13,15-16H,8-11H2,1-7H3
InChIKeyLKPXLARJIUUECX-UHFFFAOYSA-N
MW243.44 g/mol
LogP1.94
Rot. Bonds8

About 2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 107445286) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is 2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID107445286
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Name2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCNC(C)(C)C
InChIInChI=1S/C14H33N3/c1-12(2)10-13(11-17(6)7)15-8-9-16-14(3,4)5/h12-13,15-16H,8-11H2,1-7H3
InChIKeyLKPXLARJIUUECX-UHFFFAOYSA-N
XLogP1.94
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine
CID 62140508
1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 114015010
2-N-(3-ethylsulfonylpropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65093049
5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid
CID 103244197
methyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963729
1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine
CID 43792413
1-N,1-N,4-trimethyl-2-N-[2-(oxolan-2-yl)ethyl]pentane-1,2-diamine
CID 65164114
2-N-[(3-fluoro-4-methylphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 63646229
2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 43751596
1-N,1-N,4-trimethyl-2-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,2-diamine
CID 62472955
2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 43751604
N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 62422222

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 107445286) is 2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CN(C)C)NCCNC(C)(C)C.
What is the InChIKey of 2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is LKPXLARJIUUECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-12(2)10-13(11-17(6)7)15-8-9-16-14(3,4)5/h12-13,15-16H,8-11H2,1-7H3.
What are the key properties of 2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 243.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 107445286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).