N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine

C13H27N3 — CID 115207045

IUPACN-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine
SMILESCN1CCCC(CN(C)CCNC2CC2)C1
InChIInChI=1S/C13H27N3/c1-15-8-3-4-12(10-15)11-16(2)9-7-14-13-5-6-13/h12-14H,3-11H2,1-2H3
InChIKeyRNVQMWIPGBOHRK-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds6

About N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine

N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine (PubChem CID 115207045) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine
PubChem CID115207045
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine
SMILESCN1CCCC(CN(C)CCNC2CC2)C1
InChIInChI=1S/C13H27N3/c1-15-8-3-4-12(10-15)11-16(2)9-7-14-13-5-6-13/h12-14H,3-11H2,1-2H3
InChIKeyRNVQMWIPGBOHRK-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63501893
N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561053
N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62412368
N-(methoxymethyl)-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115258790
ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 142068067
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63707526
N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
N-cyclopropyl-N'-[(2,2-dimethylcyclopropyl)methyl]-N'-methylethane-1,2-diamine
CID 107001497
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62886265
N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208755
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 55172392

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine (CID 115207045) is N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine is CN1CCCC(CN(C)CCNC2CC2)C1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is RNVQMWIPGBOHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-8-3-4-12(10-15)11-16(2)9-7-14-13-5-6-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine?
N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 115207045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).