N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine

C20H35N — CID 143195376

IUPACN,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine
SMILESCN(C)CC1=CC=C(C(CC(C)(C)C)C(C)(C)C)C=CC1
InChIInChI=1S/C20H35N/c1-19(2,3)14-18(20(4,5)6)17-11-9-10-16(12-13-17)15-21(7)8/h9,11-13,18H,10,14-15H2,1-8H3
InChIKeyJTPJDRXIJFLYEE-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.46
Rot. Bonds4

About N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine

N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine (PubChem CID 143195376) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine
PubChem CID143195376
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine
SMILESCN(C)CC1=CC=C(C(CC(C)(C)C)C(C)(C)C)C=CC1
InChIInChI=1S/C20H35N/c1-19(2,3)14-18(20(4,5)6)17-11-9-10-16(12-13-17)15-21(7)8/h9,11-13,18H,10,14-15H2,1-8H3
InChIKeyJTPJDRXIJFLYEE-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

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CID 23286764
N,N,3,7,11-pentamethyldodeca-2,4,10-trien-1-amine
CID 53692619
N,N,7-triethyl-3,11-dimethyltrideca-2,4,10-trien-1-amine
CID 53697344
N,N-diethyl 3,7,11-trimethyldodeca-2,4,10-trienylamine
CID 53837124
1-Di-n-butylamino-5,5,7,7-tetramethyl-2-octene
CID 53838469
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine (CID 143195376) is N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine is CN(C)CC1=CC=C(C(CC(C)(C)C)C(C)(C)C)C=CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine?
The InChIKey is JTPJDRXIJFLYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-19(2,3)14-18(20(4,5)6)17-11-9-10-16(12-13-17)15-21(7)8/h9,11-13,18H,10,14-15H2,1-8H3.
What are the key properties of N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine?
N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine has a molecular weight of 289.51 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine is sourced from PubChem (CID 143195376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).