N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine

C12H26N2 — CID 82932420

IUPACN'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)C1CCCCC1
InChIInChI=1S/C12H26N2/c1-3-10-14(11-9-13-2)12-7-5-4-6-8-12/h12-13H,3-11H2,1-2H3
InChIKeySGIUUOKSVVMPPT-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds6

About N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine

N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine (PubChem CID 82932420) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine
PubChem CID82932420
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)C1CCCCC1
InChIInChI=1S/C12H26N2/c1-3-10-14(11-9-13-2)12-7-5-4-6-8-12/h12-13H,3-11H2,1-2H3
InChIKeySGIUUOKSVVMPPT-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine
CID 82931038
N,N-dipropylcyclodecanamine
CID 139723962
N'-cyclobutyl-N'-ethyl-N-methylethane-1,2-diamine;ethane
CID 142444471
N-butyl-N-propylcyclohexanamine
CID 15751893
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
N-(5-methylhexyl)-N-propylcyclohexanamine
CID 167070487
N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 138657743
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine
CID 63501797
N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine
CID 60852498
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine (CID 82932420) is N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine is CCCN(CCNC)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is SGIUUOKSVVMPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-10-14(11-9-13-2)12-7-5-4-6-8-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine?
N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 82932420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).