1-cyclopropyl-4-methoxypentan-3-amine

C9H19NO — CID 79617278

IUPAC1-cyclopropyl-4-methoxypentan-3-amine
SMILESCOC(C)C(N)CCC1CC1
InChIInChI=1S/C9H19NO/c1-7(11-2)9(10)6-5-8-3-4-8/h7-9H,3-6,10H2,1-2H3
InChIKeyYQISKMSEOFFEAW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds5

About 1-cyclopropyl-4-methoxypentan-3-amine

1-cyclopropyl-4-methoxypentan-3-amine (PubChem CID 79617278) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-cyclopropyl-4-methoxypentan-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-methoxypentan-3-amine
PubChem CID79617278
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-cyclopropyl-4-methoxypentan-3-amine
SMILESCOC(C)C(N)CCC1CC1
InChIInChI=1S/C9H19NO/c1-7(11-2)9(10)6-5-8-3-4-8/h7-9H,3-6,10H2,1-2H3
InChIKeyYQISKMSEOFFEAW-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methoxypentan-3-amine?
The IUPAC name of 1-cyclopropyl-4-methoxypentan-3-amine (CID 79617278) is 1-cyclopropyl-4-methoxypentan-3-amine.
What is the SMILES notation for 1-cyclopropyl-4-methoxypentan-3-amine?
The canonical SMILES for 1-cyclopropyl-4-methoxypentan-3-amine is COC(C)C(N)CCC1CC1.
What is the InChIKey of 1-cyclopropyl-4-methoxypentan-3-amine?
The InChIKey is YQISKMSEOFFEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(11-2)9(10)6-5-8-3-4-8/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-methoxypentan-3-amine?
1-cyclopropyl-4-methoxypentan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methoxypentan-3-amine is sourced from PubChem (CID 79617278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).