N-(3,7-dimethyloct-6-enyl)adamantan-2-amine

C20H35N — CID 155522234

IUPACN-(3,7-dimethyloct-6-enyl)adamantan-2-amine
SMILESCC(C)=CCCC(C)CCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H35N/c1-14(2)5-4-6-15(3)7-8-21-20-18-10-16-9-17(12-18)13-19(20)11-16/h5,15-21H,4,6-13H2,1-3H3
InChIKeyXNQOUINXDUSWSQ-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.17
Rot. Bonds7

About N-(3,7-dimethyloct-6-enyl)adamantan-2-amine

N-(3,7-dimethyloct-6-enyl)adamantan-2-amine (PubChem CID 155522234) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-(3,7-dimethyloct-6-enyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(3,7-dimethyloct-6-enyl)adamantan-2-amine
PubChem CID155522234
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-(3,7-dimethyloct-6-enyl)adamantan-2-amine
SMILESCC(C)=CCCC(C)CCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H35N/c1-14(2)5-4-6-15(3)7-8-21-20-18-10-16-9-17(12-18)13-19(20)11-16/h5,15-21H,4,6-13H2,1-3H3
InChIKeyXNQOUINXDUSWSQ-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3,7-dimethyloct-6-enyl)adamantan-2-amine?
The IUPAC name of N-(3,7-dimethyloct-6-enyl)adamantan-2-amine (CID 155522234) is N-(3,7-dimethyloct-6-enyl)adamantan-2-amine.
What is the SMILES notation for N-(3,7-dimethyloct-6-enyl)adamantan-2-amine?
The canonical SMILES for N-(3,7-dimethyloct-6-enyl)adamantan-2-amine is CC(C)=CCCC(C)CCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(3,7-dimethyloct-6-enyl)adamantan-2-amine?
The InChIKey is XNQOUINXDUSWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-14(2)5-4-6-15(3)7-8-21-20-18-10-16-9-17(12-18)13-19(20)11-16/h5,15-21H,4,6-13H2,1-3H3.
What are the key properties of N-(3,7-dimethyloct-6-enyl)adamantan-2-amine?
N-(3,7-dimethyloct-6-enyl)adamantan-2-amine has a molecular weight of 289.51 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyloct-6-enyl)adamantan-2-amine is sourced from PubChem (CID 155522234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).