N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine

C17H36N2 — CID 55197311

IUPACN-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCCN(CC(C)(CCC)CNC(C)C)C1CC1
InChIInChI=1S/C17H36N2/c1-6-8-12-19(16-9-10-16)14-17(5,11-7-2)13-18-15(3)4/h15-16,18H,6-14H2,1-5H3
InChIKeyRGFPCPRALALFCB-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds11

About N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine

N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine (PubChem CID 55197311) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
PubChem CID55197311
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCCN(CC(C)(CCC)CNC(C)C)C1CC1
InChIInChI=1S/C17H36N2/c1-6-8-12-19(16-9-10-16)14-17(5,11-7-2)13-18-15(3)4/h15-16,18H,6-14H2,1-5H3
InChIKeyRGFPCPRALALFCB-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-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,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63483431
N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78944177
2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
CID 62256428
N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62258875
2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol
CID 62270068
1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine
CID 66453635
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78987321
N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62545961
3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol
CID 102870774
2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal
CID 62275844
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63210997

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The IUPAC name of N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine (CID 55197311) is N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The canonical SMILES for N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine is CCCCN(CC(C)(CCC)CNC(C)C)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The InChIKey is RGFPCPRALALFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-8-12-19(16-9-10-16)14-17(5,11-7-2)13-18-15(3)4/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 55197311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).