N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine

C16H33N3 — CID 23423562

IUPACN'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
SMILESC1CCC(NCCNCCNC2CCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16/h15-19H,1-14H2
InChIKeyZUIVWCYDJBKRHY-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.42
Rot. Bonds8

About N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine

N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine (PubChem CID 23423562) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
PubChem CID23423562
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
SMILESC1CCC(NCCNCCNC2CCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16/h15-19H,1-14H2
InChIKeyZUIVWCYDJBKRHY-UHFFFAOYSA-N
XLogP2.42
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665
N'-cyclopentyl-N-ethylethane-1,2-diamine
CID 61150069
N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine
CID 142421184
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
N'-cycloundecylethane-1,2-diamine
CID 166845791
N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine
CID 143268114
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-(2-chloroethyl)cyclooctanamine
CID 18316363
N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806763
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
azane;N-propylcyclohexanamine
CID 19368218

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine (CID 23423562) is N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine is C1CCC(NCCNCCNC2CCCCC2)CC1.
What is the InChIKey of N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine?
The InChIKey is ZUIVWCYDJBKRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16/h15-19H,1-14H2.
What are the key properties of N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine?
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 23423562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).