N-cycloheptyl-N'-phenylethane-1,2-diamine

C15H24N2 — CID 61149751

IUPACN-cycloheptyl-N'-phenylethane-1,2-diamine
SMILESc1ccc(NCCNC2CCCCCC2)cc1
InChIInChI=1S/C15H24N2/c1-2-5-9-14(8-4-1)16-12-13-17-15-10-6-3-7-11-15/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12-13H2
InChIKeySNPOLCYHYHUWJR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.41
Rot. Bonds5

About N-cycloheptyl-N'-phenylethane-1,2-diamine

N-cycloheptyl-N'-phenylethane-1,2-diamine (PubChem CID 61149751) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-cycloheptyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-phenylethane-1,2-diamine
PubChem CID61149751
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-cycloheptyl-N'-phenylethane-1,2-diamine
SMILESc1ccc(NCCNC2CCCCCC2)cc1
InChIInChI=1S/C15H24N2/c1-2-5-9-14(8-4-1)16-12-13-17-15-10-6-3-7-11-15/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12-13H2
InChIKeySNPOLCYHYHUWJR-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
CID 115693261
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N-(2-cyclodecylethyl)cyclodecapentaenamine
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N-(3-phenylpropyl)cyclododecanamine
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N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine
CID 115306733
N'-(1,2,4-benzotriazin-3-yl)-N-cycloheptylethane-1,2-diamine
CID 103204756
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CID 60683732
4-(cyclohexylamino)-2-phenylbutan-2-ol
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benzene;N-benzylcyclohexanamine
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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-phenylethane-1,2-diamine (CID 61149751) is N-cycloheptyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-phenylethane-1,2-diamine is c1ccc(NCCNC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-N'-phenylethane-1,2-diamine?
The InChIKey is SNPOLCYHYHUWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-5-9-14(8-4-1)16-12-13-17-15-10-6-3-7-11-15/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12-13H2.
What are the key properties of N-cycloheptyl-N'-phenylethane-1,2-diamine?
N-cycloheptyl-N'-phenylethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 61149751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).