N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine

C16H30N2 — CID 2845895

IUPACN'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCN(CCN(C)C)CC1=CCC2CC1C2(C)C
InChIInChI=1S/C16H30N2/c1-6-18(10-9-17(4)5)12-13-7-8-14-11-15(13)16(14,2)3/h7,14-15H,6,8-12H2,1-5H3
InChIKeyWKPFTOAVJMKKSS-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.86
Rot. Bonds6

About N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine

N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine (PubChem CID 2845895) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
PubChem CID2845895
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCN(CCN(C)C)CC1=CCC2CC1C2(C)C
InChIInChI=1S/C16H30N2/c1-6-18(10-9-17(4)5)12-13-7-8-14-11-15(13)16(14,2)3/h7,14-15H,6,8-12H2,1-5H3
InChIKeyWKPFTOAVJMKKSS-UHFFFAOYSA-N
XLogP2.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine (CID 2845895) is N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine is CCN(CCN(C)C)CC1=CCC2CC1C2(C)C.
What is the InChIKey of N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The InChIKey is WKPFTOAVJMKKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-18(10-9-17(4)5)12-13-7-8-14-11-15(13)16(14,2)3/h7,14-15H,6,8-12H2,1-5H3.
What are the key properties of N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine has a molecular weight of 250.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 2845895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).