N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine

C20H35N — CID 142170584

IUPACN-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine
SMILESCCCC(C)(C)C(C)CN(C)CC1=CC=CC(C)(C)C=C1
InChIInChI=1S/C20H35N/c1-8-12-20(5,6)17(2)15-21(7)16-18-10-9-13-19(3,4)14-11-18/h9-11,13-14,17H,8,12,15-16H2,1-7H3
InChIKeySBKSVEPWNXAYRG-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.46
Rot. Bonds7

About N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine

N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine (PubChem CID 142170584) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine.

Molecular Properties

Compound NameN-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine
PubChem CID142170584
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine
SMILESCCCC(C)(C)C(C)CN(C)CC1=CC=CC(C)(C)C=C1
InChIInChI=1S/C20H35N/c1-8-12-20(5,6)17(2)15-21(7)16-18-10-9-13-19(3,4)14-11-18/h9-11,13-14,17H,8,12,15-16H2,1-7H3
InChIKeySBKSVEPWNXAYRG-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine with MolForge

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Related Compounds

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CID 59036730
N-[[4-[[hexyl(methyl)amino]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]methyl]-N-methylhexan-1-amine
CID 69997982
[1,4-Bis(2-methylpropyl)cyclohexa-2,4-dien-1-yl]methyl-trimethylazanium chloride
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CID 71119975
(4R)-1,4,5,5,7-pentamethyl-6-[(Z)-4-methylhept-1-enyl]-3,4-dihydro-2H-azepine
CID 71119976
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CID 71119988
(4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine
CID 71119994
1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine
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Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine?
The IUPAC name of N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine (CID 142170584) is N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine.
What is the SMILES notation for N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine?
The canonical SMILES for N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine is CCCC(C)(C)C(C)CN(C)CC1=CC=CC(C)(C)C=C1.
What is the InChIKey of N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine?
The InChIKey is SBKSVEPWNXAYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-8-12-20(5,6)17(2)15-21(7)16-18-10-9-13-19(3,4)14-11-18/h9-11,13-14,17H,8,12,15-16H2,1-7H3.
What are the key properties of N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine?
N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methyl]-N,2,3,3-tetramethylhexan-1-amine is sourced from PubChem (CID 142170584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).