N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine

C19H34N2 — CID 63493603

IUPACN'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine
SMILESCCCCN(CCC(NCC)c1ccccc1)C(C)CC
InChIInChI=1S/C19H34N2/c1-5-8-15-21(17(4)6-2)16-14-19(20-7-3)18-12-10-9-11-13-18/h9-13,17,19-20H,5-8,14-16H2,1-4H3
InChIKeySNRFNQMSMNKNJQ-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.63
Rot. Bonds11

About N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine

N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine (PubChem CID 63493603) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine
PubChem CID63493603
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine
SMILESCCCCN(CCC(NCC)c1ccccc1)C(C)CC
InChIInChI=1S/C19H34N2/c1-5-8-15-21(17(4)6-2)16-14-19(20-7-3)18-12-10-9-11-13-18/h9-13,17,19-20H,5-8,14-16H2,1-4H3
InChIKeySNRFNQMSMNKNJQ-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82953260
N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63699665
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
CID 63053630
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757523
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine (CID 63493603) is N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine is CCCCN(CCC(NCC)c1ccccc1)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine?
The InChIKey is SNRFNQMSMNKNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-8-15-21(17(4)6-2)16-14-19(20-7-3)18-12-10-9-11-13-18/h9-13,17,19-20H,5-8,14-16H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine?
N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 63493603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).