N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine

C18H35N3 — CID 2845840

IUPACN'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN(CCCN(C)C)CC1CC2C=CC1C2
InChIInChI=1S/C18H35N3/c1-19(2)9-5-11-21(12-6-10-20(3)4)15-18-14-16-7-8-17(18)13-16/h7-8,16-18H,5-6,9-15H2,1-4H3
InChIKeySKTXYSLBHOKLQL-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.40
Rot. Bonds10

About N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine

N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine (PubChem CID 2845840) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
PubChem CID2845840
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN(CCCN(C)C)CC1CC2C=CC1C2
InChIInChI=1S/C18H35N3/c1-19(2)9-5-11-21(12-6-10-20(3)4)15-18-14-16-7-8-17(18)13-16/h7-8,16-18H,5-6,9-15H2,1-4H3
InChIKeySKTXYSLBHOKLQL-UHFFFAOYSA-N
XLogP2.40
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine (CID 2845840) is N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine is CN(C)CCCN(CCCN(C)C)CC1CC2C=CC1C2.
What is the InChIKey of N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?
The InChIKey is SKTXYSLBHOKLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-19(2)9-5-11-21(12-6-10-20(3)4)15-18-14-16-7-8-17(18)13-16/h7-8,16-18H,5-6,9-15H2,1-4H3.
What are the key properties of N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?
N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine has a molecular weight of 293.50 g/mol, XLogP of 2.40, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 2845840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).