4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine

C19H31NO — CID 65089931

IUPAC4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCCOc2ccccc2)CC1
InChIInChI=1S/C19H31NO/c1-19(2,3)16-8-7-9-17(13-12-16)20-14-15-21-18-10-5-4-6-11-18/h4-6,10-11,16-17,20H,7-9,12-15H2,1-3H3
InChIKeyDJWWXQKETZKBGQ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.65
Rot. Bonds5

About 4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine

4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine (PubChem CID 65089931) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine
PubChem CID65089931
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCCOc2ccccc2)CC1
InChIInChI=1S/C19H31NO/c1-19(2,3)16-8-7-9-17(13-12-16)20-14-15-21-18-10-5-4-6-11-18/h4-6,10-11,16-17,20H,7-9,12-15H2,1-3H3
InChIKeyDJWWXQKETZKBGQ-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine
CID 65090143
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
1-[4-(2-phenoxyethylamino)piperidin-1-yl]ethanone
CID 54941279
2-(2-phenoxyethylamino)cyclohexan-1-ol
CID 54943356
N-[2-(3-tert-butylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63517538
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187
N-[3,3-dimethyl-2-(2-phenoxyethyl)butyl]cyclopropanamine
CID 83139427
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine (CID 65089931) is 4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine is CC(C)(C)C1CCCC(NCCOc2ccccc2)CC1.
What is the InChIKey of 4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine?
The InChIKey is DJWWXQKETZKBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)16-8-7-9-17(13-12-16)20-14-15-21-18-10-5-4-6-11-18/h4-6,10-11,16-17,20H,7-9,12-15H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine?
4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine is sourced from PubChem (CID 65089931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).