N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine

C16H34N2 — CID 29280275

IUPACN-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-18(7-2)13-12-17-15-10-8-14(9-11-15)16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyZZCSMWSNNBUQNE-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds6

About N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine

N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 29280275) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine
PubChem CID29280275
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-18(7-2)13-12-17-15-10-8-14(9-11-15)16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyZZCSMWSNNBUQNE-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine (CID 29280275) is N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is ZZCSMWSNNBUQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-18(7-2)13-12-17-15-10-8-14(9-11-15)16(3,4)5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine?
N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 29280275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).