2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine

C17H27NO — CID 106662463

IUPAC2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCCCOc1ccccc1
InChIInChI=1S/C17H27NO/c1-14-12-17(2,3)13-16(14)18-10-7-11-19-15-8-5-4-6-9-15/h4-6,8-9,14,16,18H,7,10-13H2,1-3H3
InChIKeyMVMDXVTXVMWWRC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.87
Rot. Bonds6

About 2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine

2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine (PubChem CID 106662463) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
PubChem CID106662463
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCCCOc1ccccc1
InChIInChI=1S/C17H27NO/c1-14-12-17(2,3)13-16(14)18-10-7-11-19-15-8-5-4-6-9-15/h4-6,8-9,14,16,18H,7,10-13H2,1-3H3
InChIKeyMVMDXVTXVMWWRC-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.87
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

2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine
CID 62936608
2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine
CID 106662415
3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine
CID 114631848
2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
CID 106661703
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 154739109
2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 81320617
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 79357947
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
CID 106662443
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 106661765

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine (CID 106662463) is 2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine is CC1CC(C)(C)CC1NCCCOc1ccccc1.
What is the InChIKey of 2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine?
The InChIKey is MVMDXVTXVMWWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-12-17(2,3)13-16(14)18-10-7-11-19-15-8-5-4-6-9-15/h4-6,8-9,14,16,18H,7,10-13H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine?
2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine is sourced from PubChem (CID 106662463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).