N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine

C18H41N3 — CID 178016372

IUPACN-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)N(CC)CCCN(C)CCCN(CC)C(C)C
InChIInChI=1S/C18H41N3/c1-8-18(6)21(10-3)16-12-14-19(7)13-11-15-20(9-2)17(4)5/h17-18H,8-16H2,1-7H3
InChIKeyCCEHYNKXOHYFRT-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.55
Rot. Bonds13

About N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine

N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 178016372) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID178016372
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC NameN-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)N(CC)CCCN(C)CCCN(CC)C(C)C
InChIInChI=1S/C18H41N3/c1-8-18(6)21(10-3)16-12-14-19(7)13-11-15-20(9-2)17(4)5/h17-18H,8-16H2,1-7H3
InChIKeyCCEHYNKXOHYFRT-UHFFFAOYSA-N
XLogP3.55
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
3-[butan-2-yl(ethyl)amino]propan-1-ol
CID 43509660
3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588667
N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
CID 171588607
N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide
CID 146482077
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 62420127
4-[ethyl(propan-2-yl)amino]butanehydrazide
CID 63573828
N-(2-chloroethyl)-N-ethylpropan-2-amine
CID 13327740
N-ethyl-N-(3-pyrrolidin-2-ylpropyl)butan-2-amine
CID 62479230
N-ethyl-N-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 165119291
N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine
CID 171588546

Frequently Asked Questions

What is the IUPAC name of N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 178016372) is N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine is CCC(C)N(CC)CCCN(C)CCCN(CC)C(C)C.
What is the InChIKey of N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is CCEHYNKXOHYFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3/c1-8-18(6)21(10-3)16-12-14-19(7)13-11-15-20(9-2)17(4)5/h17-18H,8-16H2,1-7H3.
What are the key properties of N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 299.55 g/mol, XLogP of 3.55, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 178016372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).