2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine

C17H31N3 — CID 103188024

IUPAC2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C(CN)CCc1ccccc1
InChIInChI=1S/C17H31N3/c1-5-20(15(2)14-19(3)4)17(13-18)12-11-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14,18H2,1-4H3
InChIKeyDCSIQZPXWRGFQA-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.22
Rot. Bonds9

About 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine

2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine (PubChem CID 103188024) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine
PubChem CID103188024
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C(CN)CCc1ccccc1
InChIInChI=1S/C17H31N3/c1-5-20(15(2)14-19(3)4)17(13-18)12-11-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14,18H2,1-4H3
InChIKeyDCSIQZPXWRGFQA-UHFFFAOYSA-N
XLogP2.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine
CID 60709793
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine
CID 62881786
2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 55129264
1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine
CID 69151806
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
CID 173427481
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 63473262
2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 107397853
2-N-[2-amino-1-(2-chlorophenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187856
2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine
CID 62879729
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate
CID 106677155

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine (CID 103188024) is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine is CCN(C(C)CN(C)C)C(CN)CCc1ccccc1.
What is the InChIKey of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine?
The InChIKey is DCSIQZPXWRGFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-20(15(2)14-19(3)4)17(13-18)12-11-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14,18H2,1-4H3.
What are the key properties of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine?
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 103188024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).