N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine

C13H27N3 — CID 79714194

IUPACN'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CC1CCNCC1)C1CC1
InChIInChI=1S/C13H27N3/c1-15(2)9-10-16(13-3-4-13)11-12-5-7-14-8-6-12/h12-14H,3-11H2,1-2H3
InChIKeyKJKDXNQPNKJDIQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds6

About N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine

N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 79714194) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
PubChem CID79714194
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CC1CCNCC1)C1CC1
InChIInChI=1S/C13H27N3/c1-15(2)9-10-16(13-3-4-13)11-12-5-7-14-8-6-12/h12-14H,3-11H2,1-2H3
InChIKeyKJKDXNQPNKJDIQ-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

5-[cyclopropyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79714169
N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 82892706
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
azane;N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 175907731
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 103181621
3-methyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79715188
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
CID 79714454
N-(cyclopropylmethyl)-N-propylazepan-4-amine
CID 63902557
N-[2-(dimethylamino)ethyl]-N-(piperidin-4-ylmethyl)acetamide
CID 69300106
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106631586
N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 81090110

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine (CID 79714194) is N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine is CN(C)CCN(CC1CCNCC1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is KJKDXNQPNKJDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15(2)9-10-16(13-3-4-13)11-12-5-7-14-8-6-12/h12-14H,3-11H2,1-2H3.
What are the key properties of N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine?
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)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,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 79714194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).