N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

C15H28N2 — CID 743464

IUPACN'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1=CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H28N2/c1-15(2)13-7-6-12(14(15)10-13)11-17(5)9-8-16(3)4/h6,13-14H,7-11H2,1-5H3/t13-,14-/m0/s1
InChIKeyWVLFFSJUSYPZAZ-KBPBESRZSA-N
MW236.40 g/mol
LogP2.47
Rot. Bonds5

About N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 743464) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID743464
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1=CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H28N2/c1-15(2)13-7-6-12(14(15)10-13)11-17(5)9-8-16(3)4/h6,13-14H,7-11H2,1-5H3/t13-,14-/m0/s1
InChIKeyWVLFFSJUSYPZAZ-KBPBESRZSA-N
XLogP2.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.47
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'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 743464) is N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CC1=CC[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is WVLFFSJUSYPZAZ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H28N2/c1-15(2)13-7-6-12(14(15)10-13)11-17(5)9-8-16(3)4/h6,13-14H,7-11H2,1-5H3/t13-,14-/m0/s1.
What are the key properties of N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 236.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 743464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).