N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine

C19H35N3 — CID 169214911

IUPACN-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
SMILESCCCCN(C)CCN(C)Cc1ccc(CNC(C)C)cc1
InChIInChI=1S/C19H35N3/c1-6-7-12-21(4)13-14-22(5)16-19-10-8-18(9-11-19)15-20-17(2)3/h8-11,17,20H,6-7,12-16H2,1-5H3
InChIKeyPDIYBWLEBHLHHV-UHFFFAOYSA-N
MW305.51 g/mol
LogP3.35
Rot. Bonds11

About N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine

N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine (PubChem CID 169214911) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
PubChem CID169214911
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC NameN-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
SMILESCCCCN(C)CCN(C)Cc1ccc(CNC(C)C)cc1
InChIInChI=1S/C19H35N3/c1-6-7-12-21(4)13-14-22(5)16-19-10-8-18(9-11-19)15-20-17(2)3/h8-11,17,20H,6-7,12-16H2,1-5H3
InChIKeyPDIYBWLEBHLHHV-UHFFFAOYSA-N
XLogP3.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 155750962
N,N'-dimethyl-N'-(2-methylbutyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 153390414
N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 55070316
N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine
CID 105346938
N'-ethyl-N,N-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 102997517
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
CID 55074599
N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine
CID 63424967
N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
CID 103438251
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62418494
2-bromo-N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 114062678
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine (CID 169214911) is N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine is CCCCN(C)CCN(C)Cc1ccc(CNC(C)C)cc1.
What is the InChIKey of N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine?
The InChIKey is PDIYBWLEBHLHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-6-7-12-21(4)13-14-22(5)16-19-10-8-18(9-11-19)15-20-17(2)3/h8-11,17,20H,6-7,12-16H2,1-5H3.
What are the key properties of N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine?
N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine has a molecular weight of 305.51 g/mol, XLogP of 3.35, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 169214911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).