N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine

C18H40N2 — CID 79490735

IUPACN-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C18H40N2/c1-8-12-18(7,14-19-11-4)15-20(13-16(5)6)17(9-2)10-3/h16-17,19H,8-15H2,1-7H3
InChIKeyJRRPDSSPZJLBFL-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.55
Rot. Bonds12

About N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine

N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine (PubChem CID 79490735) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine
PubChem CID79490735
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC NameN-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C18H40N2/c1-8-12-18(7,14-19-11-4)15-20(13-16(5)6)17(9-2)10-3/h16-17,19H,8-15H2,1-7H3
InChIKeyJRRPDSSPZJLBFL-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 62257607
N,2-dimethyl-N'-(2-methylpropyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62259022
N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine
CID 62259004
2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine
CID 79491872
1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
CID 62337553
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78944177
2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal
CID 79491619
2-methyl-N'-(2-methylpropyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62259708
N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine
CID 63493237
N,2-dimethyl-N-(3-methylbutan-2-yl)-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55195786
N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256691

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine?
The IUPAC name of N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine (CID 79490735) is N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine is CCCC(C)(CNCC)CN(CC(C)C)C(CC)CC.
What is the InChIKey of N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine?
The InChIKey is JRRPDSSPZJLBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-8-12-18(7,14-19-11-4)15-20(13-16(5)6)17(9-2)10-3/h16-17,19H,8-15H2,1-7H3.
What are the key properties of N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine?
N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.55, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 79490735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).