1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine

C14H29NO — CID 79196998

IUPAC1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(CC1CCCC1)C(C)(C)OC
InChIInChI=1S/C14H29NO/c1-5-10-15-13(14(2,3)16-4)11-12-8-6-7-9-12/h12-13,15H,5-11H2,1-4H3
InChIKeyKIVDSOPQQLPXDI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds7

About 1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine

1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine (PubChem CID 79196998) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine
PubChem CID79196998
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(CC1CCCC1)C(C)(C)OC
InChIInChI=1S/C14H29NO/c1-5-10-15-13(14(2,3)16-4)11-12-8-6-7-9-12/h12-13,15H,5-11H2,1-4H3
InChIKeyKIVDSOPQQLPXDI-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198161
1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197910
1-cyclohexyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031160
1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032084
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 115863401
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115692645
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
CID 103717838
3-cyclopentyl-1,1-difluoro-N-propylpropan-2-amine
CID 103516567
1-cyclohexyl-6-methoxy-6-methyl-N-propylheptan-3-amine
CID 103031953

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine (CID 79196998) is 1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine is CCCNC(CC1CCCC1)C(C)(C)OC.
What is the InChIKey of 1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine?
The InChIKey is KIVDSOPQQLPXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-10-15-13(14(2,3)16-4)11-12-8-6-7-9-12/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine?
1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 79196998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).