N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine

C17H31N3 — CID 115995247

IUPACN,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
SMILESCCCNC(CC)c1ccccc1N(C)CCN(C)C
InChIInChI=1S/C17H31N3/c1-6-12-18-16(7-2)15-10-8-9-11-17(15)20(5)14-13-19(3)4/h8-11,16,18H,6-7,12-14H2,1-5H3
InChIKeyDVDNYUUNYNZGEE-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.14
Rot. Bonds9

About N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine (PubChem CID 115995247) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
PubChem CID115995247
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
SMILESCCCNC(CC)c1ccccc1N(C)CCN(C)C
InChIInChI=1S/C17H31N3/c1-6-12-18-16(7-2)15-10-8-9-11-17(15)20(5)14-13-19(3)4/h8-11,16,18H,6-7,12-14H2,1-5H3
InChIKeyDVDNYUUNYNZGEE-UHFFFAOYSA-N
XLogP3.14
TPSA18.51 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 115995187
N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline
CID 115995349
N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677945
N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677858
N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
CID 115994862
N-cyclopropyl-N-ethyl-2-[1-(propylamino)propyl]aniline
CID 112677823
1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol
CID 115995337
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(propylamino)propyl]aniline
CID 115995005
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile
CID 43284304
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine (CID 115995247) is N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine is CCCNC(CC)c1ccccc1N(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine?
The InChIKey is DVDNYUUNYNZGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-12-18-16(7-2)15-10-8-9-11-17(15)20(5)14-13-19(3)4/h8-11,16,18H,6-7,12-14H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine has a molecular weight of 277.46 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 115995247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).