2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine

C15H31NO — CID 106661703

IUPAC2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
SMILESCC(C)COCCCNC1CC(C)(C)CC1C
InChIInChI=1S/C15H31NO/c1-12(2)11-17-8-6-7-16-14-10-15(4,5)9-13(14)3/h12-14,16H,6-11H2,1-5H3
InChIKeyDZONDYPFJSFRKD-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds7

About 2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine

2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine (PubChem CID 106661703) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
PubChem CID106661703
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
SMILESCC(C)COCCCNC1CC(C)(C)CC1C
InChIInChI=1S/C15H31NO/c1-12(2)11-17-8-6-7-16-14-10-15(4,5)9-13(14)3/h12-14,16H,6-11H2,1-5H3
InChIKeyDZONDYPFJSFRKD-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
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

2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 106661565
3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
CID 112681903
N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
CID 106662443
2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 81300974
2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 106662463
2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine
CID 79917065
1,2,5-trimethyl-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43665520
6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106450291
N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363775

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine (CID 106661703) is 2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine is CC(C)COCCCNC1CC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine?
The InChIKey is DZONDYPFJSFRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)11-17-8-6-7-16-14-10-15(4,5)9-13(14)3/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine?
2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 7 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-(2-methylpropoxy)propyl]cyclopentan-1-amine is sourced from PubChem (CID 106661703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).