N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine

C15H28N2 — CID 43761798

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(C)C1CC2C=CC1C2
InChIInChI=1S/C15H28N2/c1-4-17(5-2)9-8-16-12(3)15-11-13-6-7-14(15)10-13/h6-7,12-16H,4-5,8-11H2,1-3H3
InChIKeyQQRHUHOUKDTYKF-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.52
Rot. Bonds7

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 43761798) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID43761798
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(C)C1CC2C=CC1C2
InChIInChI=1S/C15H28N2/c1-4-17(5-2)9-8-16-12(3)15-11-13-6-7-14(15)10-13/h6-7,12-16H,4-5,8-11H2,1-3H3
InChIKeyQQRHUHOUKDTYKF-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43761165
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide
CID 43777460
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-ethyl-N-methylacetamide
CID 114132337
methyl 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoate
CID 43774728
1-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767794
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine
CID 114615642
methyl 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butanoate
CID 60782530
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
CID 43775634
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine
CID 43770845
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine
CID 43767489
1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145431
1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107627

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine (CID 43761798) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is QQRHUHOUKDTYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-17(5-2)9-8-16-12(3)15-11-13-6-7-14(15)10-13/h6-7,12-16H,4-5,8-11H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 236.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 43761798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).