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

C12H25NO — CID 79569853

IUPAC3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(COC(C)C)C1
InChIInChI=1S/C12H25NO/c1-4-7-13-12-6-5-11(8-12)9-14-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyRTTNPACZSPOEOX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

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

3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine (PubChem CID 79569853) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
PubChem CID79569853
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(COC(C)C)C1
InChIInChI=1S/C12H25NO/c1-4-7-13-12-6-5-11(8-12)9-14-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyRTTNPACZSPOEOX-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine
CID 79569560
3-ethyl-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine
CID 64501869
1,4-bis(propan-2-yloxymethyl)cyclohexane
CID 18739268
1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine
CID 69425142
3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine
CID 79186208
2-[3-(propylamino)cyclopentyl]acetic acid
CID 123558045
1-N-propylcyclohexane-1,3-diamine
CID 22026573
3-(cyclopentylmethoxy)-N-propylcyclopentan-1-amine
CID 79631925
4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 60690321
3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 116539626
3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine
CID 64722459
3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine
CID 102901303

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine (CID 79569853) is 3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine is CCCNC1CCC(COC(C)C)C1.
What is the InChIKey of 3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine?
The InChIKey is RTTNPACZSPOEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-13-12-6-5-11(8-12)9-14-10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine?
3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79569853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).