N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine

C15H25N — CID 20660074

IUPACN,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine
SMILESCC1=CC(C)=C2CC(N(C)C)CCC(C)C12
InChIInChI=1S/C15H25N/c1-10-6-7-13(16(4)5)9-14-11(2)8-12(3)15(10)14/h8,10,13,15H,6-7,9H2,1-5H3
InChIKeyFLHSQJKKYSUFSN-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.63
Rot. Bonds1

About N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine

N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine (PubChem CID 20660074) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine.

Molecular Properties

Compound NameN,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine
PubChem CID20660074
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine
SMILESCC1=CC(C)=C2CC(N(C)C)CCC(C)C12
InChIInChI=1S/C15H25N/c1-10-6-7-13(16(4)5)9-14-11(2)8-12(3)15(10)14/h8,10,13,15H,6-7,9H2,1-5H3
InChIKeyFLHSQJKKYSUFSN-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 56977196
N-butyl-N-[2-[2,4,5-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethyl]butan-1-amine
CID 57191751
N,N-dimethyl-2-[2,4,5-tri(butan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 57277832
3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine
CID 58179604
2,6-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]azepine
CID 58179778
3-methyl-7-propan-2-yl-2,4,5,8-tetrahydro-1H-cyclopenta[d]azepine
CID 58179875
4-[3-(3,8-dimethyl-5-propan-2-yl-4,5,6,7,8,8a-hexahydro-3aH-azulen-1-ylidene)prop-1-enyl]-N,N-dimethylcyclohexan-1-amine
CID 60090814
N,N-dimethyl-2-[2,3,5-tri(butan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 88253244
(1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 89175118
N,N-dimethyl-4-(3-methylpentyl)cyclohept-4-en-1-amine
CID 91050717
N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine
CID 123237341
1-(2,4-dimethylcyclohex-3-en-1-yl)-N,N-dimethylbutan-1-amine
CID 123276142

Frequently Asked Questions

What is the IUPAC name of N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine?
The IUPAC name of N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine (CID 20660074) is N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine.
What is the SMILES notation for N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine?
The canonical SMILES for N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine is CC1=CC(C)=C2CC(N(C)C)CCC(C)C12.
What is the InChIKey of N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine?
The InChIKey is FLHSQJKKYSUFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-10-6-7-13(16(4)5)9-14-11(2)8-12(3)15(10)14/h8,10,13,15H,6-7,9H2,1-5H3.
What are the key properties of N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine?
N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine has a molecular weight of 219.37 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3,8-pentamethyl-4,5,6,7,8,8a-hexahydroazulen-5-amine is sourced from PubChem (CID 20660074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).