N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine

C14H28N2 — CID 64623379

IUPACN-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC1CCCC(C2CC2)C1
InChIInChI=1S/C14H28N2/c1-3-16(2)10-9-15-14-6-4-5-13(11-14)12-7-8-12/h12-15H,3-11H2,1-2H3
InChIKeyKEOSFXXPTMGLCS-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds6

About N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 64623379) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID64623379
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC1CCCC(C2CC2)C1
InChIInChI=1S/C14H28N2/c1-3-16(2)10-9-15-14-6-4-5-13(11-14)12-7-8-12/h12-15H,3-11H2,1-2H3
InChIKeyKEOSFXXPTMGLCS-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 64623379) is N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNC1CCCC(C2CC2)C1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is KEOSFXXPTMGLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-16(2)10-9-15-14-6-4-5-13(11-14)12-7-8-12/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 64623379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).