N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine

C12H26N2 — CID 61386666

IUPACN'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(C)C1CCCC1
InChIInChI=1S/C12H26N2/c1-3-9-13-10-6-11-14(2)12-7-4-5-8-12/h12-13H,3-11H2,1-2H3
InChIKeyAGYAAMNTQXDZAC-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds7

About N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine

N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine (PubChem CID 61386666) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
PubChem CID61386666
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(C)C1CCCC1
InChIInChI=1S/C12H26N2/c1-3-9-13-10-6-11-14(2)12-7-4-5-8-12/h12-13H,3-11H2,1-2H3
InChIKeyAGYAAMNTQXDZAC-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
CID 62431846
N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513573
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine
CID 55072081
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N-methyl-N-pentylcyclobutanamine
CID 142562644
1-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227628
N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61490482
2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol
CID 81418915
5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
CID 77029969

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine (CID 61386666) is N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine is CCCNCCCN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine?
The InChIKey is AGYAAMNTQXDZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-9-13-10-6-11-14(2)12-7-4-5-8-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine?
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 61386666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).