1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine

C15H28N2 — CID 43769903

IUPAC1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNCC1CC2C=CC1C2)N(C)C
InChIInChI=1S/C15H28N2/c1-11(2)15(17(3)4)10-16-9-14-8-12-5-6-13(14)7-12/h5-6,11-16H,7-10H2,1-4H3
InChIKeyISHDVTRPPKILFJ-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.37
Rot. Bonds6

About 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43769903) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43769903
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNCC1CC2C=CC1C2)N(C)C
InChIInChI=1S/C15H28N2/c1-11(2)15(17(3)4)10-16-9-14-8-12-5-6-13(14)7-12/h5-6,11-16H,7-10H2,1-4H3
InChIKeyISHDVTRPPKILFJ-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine with MolForge

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Related Compounds

5-Norbornene-2-methylamine, N-cyclopropyl-
CID 204491
(Bicyclo(2.2.1)hept-5-en-2-ylmethyl)(propan-2-yl)amine
CID 43225117
Cambridge id 5429487
CID 2846063
1-(5-Bicyclo[2.2.1]hept-2-enylmethyl)-4-butan-2-ylpiperazine
CID 2881302
{Bicyclo[2.2.1]hept-5-en-2-ylmethyl}(butyl)amine
CID 19753053
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(tert-butyl)amine
CID 43754984
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 86778763
4-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 16302489
1-[2-[2-Norborn-5-enylmethylamino]ethyl]aziridine
CID 284767
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(propyl)amine
CID 14921525
N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)cyclohexanamine
CID 43225135
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine
CID 104854700

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43769903) is 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine is CC(C)C(CNCC1CC2C=CC1C2)N(C)C.
What is the InChIKey of 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is ISHDVTRPPKILFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-11(2)15(17(3)4)10-16-9-14-8-12-5-6-13(14)7-12/h5-6,11-16H,7-10H2,1-4H3.
What are the key properties of 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 236.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43769903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).