1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine

C15H30N2 — CID 70993804

IUPAC1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine
SMILESCCCC(N)CNCC1CCC2CC1C2(C)C
InChIInChI=1S/C15H30N2/c1-4-5-13(16)10-17-9-11-6-7-12-8-14(11)15(12,2)3/h11-14,17H,4-10,16H2,1-3H3
InChIKeyUKAPHKGWHLHKLA-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.78
Rot. Bonds6

About 1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine

1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine (PubChem CID 70993804) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine
PubChem CID70993804
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine
SMILESCCCC(N)CNCC1CCC2CC1C2(C)C
InChIInChI=1S/C15H30N2/c1-4-5-13(16)10-17-9-11-6-7-12-8-14(11)15(12,2)3/h11-14,17H,4-10,16H2,1-3H3
InChIKeyUKAPHKGWHLHKLA-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine?
The IUPAC name of 1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine (CID 70993804) is 1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine?
The canonical SMILES for 1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine is CCCC(N)CNCC1CCC2CC1C2(C)C.
What is the InChIKey of 1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine?
The InChIKey is UKAPHKGWHLHKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-5-13(16)10-17-9-11-6-7-12-8-14(11)15(12,2)3/h11-14,17H,4-10,16H2,1-3H3.
What are the key properties of 1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine?
1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 70993804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).