N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine

C19H42N2 — CID 63528013

IUPACN'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCCCCCCCCN(CC)CCNC(C)C
InChIInChI=1S/C19H42N2/c1-5-7-8-9-10-11-12-13-14-15-17-21(6-2)18-16-20-19(3)4/h19-20H,5-18H2,1-4H3
InChIKeyGTBVDPKOQCXNPM-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.23
Rot. Bonds16

About N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine

N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 63528013) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
PubChem CID63528013
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC NameN'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCCCCCCCCN(CC)CCNC(C)C
InChIInChI=1S/C19H42N2/c1-5-7-8-9-10-11-12-13-14-15-17-21(6-2)18-16-20-19(3)4/h19-20H,5-18H2,1-4H3
InChIKeyGTBVDPKOQCXNPM-UHFFFAOYSA-N
XLogP5.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
N,N'-diethyl-N'-hexadecylethane-1,2-diamine
CID 154098014
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N-propan-2-ylicosan-1-amine
CID 87246132
N-ethyl-N-propyldecan-1-amine
CID 56933807
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N-(2-chloroethyl)-N-ethylhexadecan-1-amine
CID 88604159
N-(2-chloroethyl)-N-ethylheptan-1-amine
CID 63386883
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 146254947

Frequently Asked Questions

What is the IUPAC name of N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine (CID 63528013) is N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine is CCCCCCCCCCCCN(CC)CCNC(C)C.
What is the InChIKey of N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is GTBVDPKOQCXNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-5-7-8-9-10-11-12-13-14-15-17-21(6-2)18-16-20-19(3)4/h19-20H,5-18H2,1-4H3.
What are the key properties of N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.23, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63528013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).