N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine

C12H26N2 — CID 65233035

IUPACN'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC1CC1)CC(CN)C(C)C
InChIInChI=1S/C12H26N2/c1-4-14(8-11-5-6-11)9-12(7-13)10(2)3/h10-12H,4-9,13H2,1-3H3
InChIKeyQUVLEJURCGLAQJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.95
Rot. Bonds7

About N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine

N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 65233035) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID65233035
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC1CC1)CC(CN)C(C)C
InChIInChI=1S/C12H26N2/c1-4-14(8-11-5-6-11)9-12(7-13)10(2)3/h10-12H,4-9,13H2,1-3H3
InChIKeyQUVLEJURCGLAQJ-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-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'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine
CID 65233033
4-[[ethyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79470848
methyl 2-amino-3-[cyclopropylmethyl(ethyl)amino]propanoate
CID 63955898
N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65228278
N-[[3-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 83619172
1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine
CID 81101411
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 79527297
1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
CID 63954939
3-[[ethyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 63046464
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77067837
N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine
CID 65233123

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine (CID 65233035) is N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine is CCN(CC1CC1)CC(CN)C(C)C.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is QUVLEJURCGLAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-14(8-11-5-6-11)9-12(7-13)10(2)3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine?
N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 65233035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).