1-cyclopropyl-5-methoxy-N-propylpentan-2-amine

C12H25NO — CID 65091943

IUPAC1-cyclopropyl-5-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)CC1CC1
InChIInChI=1S/C12H25NO/c1-3-8-13-12(5-4-9-14-2)10-11-6-7-11/h11-13H,3-10H2,1-2H3
InChIKeyUOIPMYWOBFOYEA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds9

About 1-cyclopropyl-5-methoxy-N-propylpentan-2-amine

1-cyclopropyl-5-methoxy-N-propylpentan-2-amine (PubChem CID 65091943) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclopropyl-5-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methoxy-N-propylpentan-2-amine
PubChem CID65091943
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclopropyl-5-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)CC1CC1
InChIInChI=1S/C12H25NO/c1-3-8-13-12(5-4-9-14-2)10-11-6-7-11/h11-13H,3-10H2,1-2H3
InChIKeyUOIPMYWOBFOYEA-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine
CID 105190341
1-methoxy-N-propyldodecan-4-amine
CID 65091880
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
1-methoxy-N-propylhexan-3-amine
CID 61412304
1-methoxy-N-propylnon-8-en-4-amine
CID 65091822
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
CID 114224838
1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine
CID 103149832
1-cyclopropyl-4-methyl-N-propylpentan-2-amine
CID 64903821
1-propoxy-N-propylheptan-4-amine
CID 79568616
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-cyclopropyl-5-methoxy-N-propylpentan-2-amine (CID 65091943) is 1-cyclopropyl-5-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-cyclopropyl-5-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-cyclopropyl-5-methoxy-N-propylpentan-2-amine is CCCNC(CCCOC)CC1CC1.
What is the InChIKey of 1-cyclopropyl-5-methoxy-N-propylpentan-2-amine?
The InChIKey is UOIPMYWOBFOYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-8-13-12(5-4-9-14-2)10-11-6-7-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-methoxy-N-propylpentan-2-amine?
1-cyclopropyl-5-methoxy-N-propylpentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 65091943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).