N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine

C16H34N2 — CID 55056542

IUPACN-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(C)C(C)CC(C)C
InChIInChI=1S/C16H34N2/c1-7-16(5,11-17-15-8-9-15)12-18(6)14(4)10-13(2)3/h13-15,17H,7-12H2,1-6H3
InChIKeyHDWDGNBTZWLJKI-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds9

About N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine

N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine (PubChem CID 55056542) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
PubChem CID55056542
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(C)C(C)CC(C)C
InChIInChI=1S/C16H34N2/c1-7-16(5,11-17-15-8-9-15)12-18(6)14(4)10-13(2)3/h13-15,17H,7-12H2,1-6H3
InChIKeyHDWDGNBTZWLJKI-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
CID 63493471
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-propylpropane-1,3-diamine
CID 62263465
N-cyclopropyl-N',2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62263755
N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260393
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62256141
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
CID 62266178
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine
CID 102997075
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864351
N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 55056498
N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256737
3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol
CID 113469034
N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine
CID 62718147

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine (CID 55056542) is N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine is CCC(C)(CNC1CC1)CN(C)C(C)CC(C)C.
What is the InChIKey of N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The InChIKey is HDWDGNBTZWLJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-16(5,11-17-15-8-9-15)12-18(6)14(4)10-13(2)3/h13-15,17H,7-12H2,1-6H3.
What are the key properties of N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 55056542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).