3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine

C17H30N2 — CID 43106207

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1cccc(C)c1)N(C)C
InChIInChI=1S/C17H30N2/c1-6-16(7-2)17(19(4)5)13-18-12-15-10-8-9-14(3)11-15/h8-11,16-18H,6-7,12-13H2,1-5H3
InChIKeyKBUYWESPDRPVBW-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.45
Rot. Bonds8

About 3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine (PubChem CID 43106207) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
PubChem CID43106207
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1cccc(C)c1)N(C)C
InChIInChI=1S/C17H30N2/c1-6-16(7-2)17(19(4)5)13-18-12-15-10-8-9-14(3)11-15/h8-11,16-18H,6-7,12-13H2,1-5H3
InChIKeyKBUYWESPDRPVBW-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43105468
3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43434722
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylsulfanylphenyl)methyl]pentane-1,2-diamine
CID 43100914
2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 43110036
2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol
CID 43207997
1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43432080
1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43110730
1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 114452251
1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205422
ethyl 3-hydroxy-4-[(3-methylphenyl)methylamino]butanoate
CID 103239917
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine (CID 43106207) is 3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine is CCC(CC)C(CNCc1cccc(C)c1)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine?
The InChIKey is KBUYWESPDRPVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-16(7-2)17(19(4)5)13-18-12-15-10-8-9-14(3)11-15/h8-11,16-18H,6-7,12-13H2,1-5H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 43106207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).