4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine

C19H31NO — CID 65083053

IUPAC4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
SMILESCCCOc1cc(C)ccc1NC1CCCC(C)(C)CC1
InChIInChI=1S/C19H31NO/c1-5-13-21-18-14-15(2)8-9-17(18)20-16-7-6-11-19(3,4)12-10-16/h8-9,14,16,20H,5-7,10-13H2,1-4H3
InChIKeyBLWCQVVLHBNZHF-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.55
Rot. Bonds5

About 4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine

4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine (PubChem CID 65083053) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
PubChem CID65083053
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
SMILESCCCOc1cc(C)ccc1NC1CCCC(C)(C)CC1
InChIInChI=1S/C19H31NO/c1-5-13-21-18-14-15(2)8-9-17(18)20-16-7-6-11-19(3,4)12-10-16/h8-9,14,16,20H,5-7,10-13H2,1-4H3
InChIKeyBLWCQVVLHBNZHF-UHFFFAOYSA-N
XLogP5.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083052
N-(3,5-dimethylcyclohexyl)-4-methyl-2-propoxyaniline
CID 64753195
4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
CID 103561671
N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
CID 64501327
1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone
CID 60935911
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
CID 65045783
1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine
CID 62981319
N-(3,3-dimethylcyclopentyl)-2-propoxyaniline
CID 80705624
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine
CID 65084187

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine (CID 65083053) is 4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine is CCCOc1cc(C)ccc1NC1CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine?
The InChIKey is BLWCQVVLHBNZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-13-21-18-14-15(2)8-9-17(18)20-16-7-6-11-19(3,4)12-10-16/h8-9,14,16,20H,5-7,10-13H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine?
4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65083053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).