3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine

C13H27NO — CID 116539626

IUPAC3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(COC(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-8-14-12-6-7-13(4,9-12)10-15-11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyAHOZJZOMZORCBY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About 3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine

3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine (PubChem CID 116539626) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
PubChem CID116539626
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(COC(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-8-14-12-6-7-13(4,9-12)10-15-11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyAHOZJZOMZORCBY-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine
CID 114477339
3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
CID 116539636
3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539638
3-cyclohexyl-3-methyl-N-propylcyclopentan-1-amine
CID 116539796
4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 164787017
3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 79569853
3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539573
3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539610
3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine
CID 79569560
1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
CID 141214985
3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539811

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine (CID 116539626) is 3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(COC(C)C)C1.
What is the InChIKey of 3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine?
The InChIKey is AHOZJZOMZORCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-8-14-12-6-7-13(4,9-12)10-15-11(2)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine?
3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116539626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).