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

C13H28N2 — CID 82931038

IUPACN'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)C1CCCCCC1
InChIInChI=1S/C13H28N2/c1-3-11-15(12-10-14-2)13-8-6-4-5-7-9-13/h13-14H,3-12H2,1-2H3
InChIKeyZXYCDKHEAPAENH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds6

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

N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine (PubChem CID 82931038) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine
PubChem CID82931038
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)C1CCCCCC1
InChIInChI=1S/C13H28N2/c1-3-11-15(12-10-14-2)13-8-6-4-5-7-9-13/h13-14H,3-12H2,1-2H3
InChIKeyZXYCDKHEAPAENH-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine
CID 82932420
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'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine (CID 82931038) is N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine is CCCN(CCNC)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is ZXYCDKHEAPAENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-11-15(12-10-14-2)13-8-6-4-5-7-9-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine?
N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 82931038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).