2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine

C13H27NO — CID 62107466

IUPAC2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
SMILESCCCOC1(CNC(C)(C)C)CCCC1
InChIInChI=1S/C13H27NO/c1-5-10-15-13(8-6-7-9-13)11-14-12(2,3)4/h14H,5-11H2,1-4H3
InChIKeyGWPHWEJSDCUIDJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds5

About 2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine

2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine (PubChem CID 62107466) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
PubChem CID62107466
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
SMILESCCCOC1(CNC(C)(C)C)CCCC1
InChIInChI=1S/C13H27NO/c1-5-10-15-13(8-6-7-9-13)11-14-12(2,3)4/h14H,5-11H2,1-4H3
InChIKeyGWPHWEJSDCUIDJ-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
CID 63476269
N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
CID 63473883
2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine
CID 103273327
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 62108400
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 66226002
2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
CID 55066245
N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine
CID 66226009
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
CID 119819509
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 55036396
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82832195

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine (CID 62107466) is 2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine is CCCOC1(CNC(C)(C)C)CCCC1.
What is the InChIKey of 2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine?
The InChIKey is GWPHWEJSDCUIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-10-15-13(8-6-7-9-13)11-14-12(2,3)4/h14H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine?
2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine is sourced from PubChem (CID 62107466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).