N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine

C17H30N2 — CID 62424987

IUPACN-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCN(CC)C(CNC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-7-13-19(6-2)17(14-18-15(3)4)16-11-9-8-10-12-16/h8-12,15,17-18H,5-7,13-14H2,1-4H3
InChIKeyLQQHVYRBUCQDNF-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.85
Rot. Bonds9

About N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine

N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62424987) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62424987
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCN(CC)C(CNC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-7-13-19(6-2)17(14-18-15(3)4)16-11-9-8-10-12-16/h8-12,15,17-18H,5-7,13-14H2,1-4H3
InChIKeyLQQHVYRBUCQDNF-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62422185
N-butyl-N'-cyclopropyl-N-ethyl-1-phenylethane-1,2-diamine
CID 55069938
1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine
CID 62439187
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62430681
N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62420532
N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 107906481
N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 113482426
N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43192161
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
3-(dibutylamino)-3-phenylpropanenitrile
CID 62779901

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine (CID 62424987) is N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine is CCCCN(CC)C(CNC(C)C)c1ccccc1.
What is the InChIKey of N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is LQQHVYRBUCQDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-7-13-19(6-2)17(14-18-15(3)4)16-11-9-8-10-12-16/h8-12,15,17-18H,5-7,13-14H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62424987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).