N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine

C14H30N2 — CID 63912327

IUPACN',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCCCCN(CCCC)CC(NC)C1CC1
InChIInChI=1S/C14H30N2/c1-4-6-10-16(11-7-5-2)12-14(15-3)13-8-9-13/h13-15H,4-12H2,1-3H3
InChIKeyOQSKLQNVYMGDND-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds10

About N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine

N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 63912327) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID63912327
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCCCCN(CCCC)CC(NC)C1CC1
InChIInChI=1S/C14H30N2/c1-4-6-10-16(11-7-5-2)12-14(15-3)13-8-9-13/h13-15H,4-12H2,1-3H3
InChIKeyOQSKLQNVYMGDND-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-cyclopropyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992594
N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992550
N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
CID 104744588
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 82965868
1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 104744662
N'-butyl-1-cyclopentyl-N'-cyclopropyl-N-methylethane-1,2-diamine
CID 104745297
1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745631
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438
N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63913422
2-butylsulfinyl-1-cyclopropyl-N-methylethanamine
CID 64653724
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine (CID 63912327) is N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine is CCCCN(CCCC)CC(NC)C1CC1.
What is the InChIKey of N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is OQSKLQNVYMGDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-10-16(11-7-5-2)12-14(15-3)13-8-9-13/h13-15H,4-12H2,1-3H3.
What are the key properties of N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine?
N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 63912327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).