4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine

C15H30N2 — CID 113291286

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCNC(CCN(C)C)CC1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-4-16-15(7-8-17(2)3)11-14-10-12-5-6-13(14)9-12/h12-16H,4-11H2,1-3H3
InChIKeyMVXXFYPBDSPGCJ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds7

About 4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine

4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 113291286) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID113291286
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCNC(CCN(C)C)CC1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-4-16-15(7-8-17(2)3)11-14-10-12-5-6-13(14)9-12/h12-16H,4-11H2,1-3H3
InChIKeyMVXXFYPBDSPGCJ-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115850124
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
CID 79563313
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
CID 115845637
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
CID 114977789
4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346595
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol
CID 64899700
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864331
1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine
CID 104987608
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine
CID 105012693
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 79562228
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 104988995

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine (CID 113291286) is 4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine is CCNC(CCN(C)C)CC1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is MVXXFYPBDSPGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-16-15(7-8-17(2)3)11-14-10-12-5-6-13(14)9-12/h12-16H,4-11H2,1-3H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 113291286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).