2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol

C12H26N2O — CID 64797037

IUPAC2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol
SMILESCCCN(CCCC(C)(N)CO)C1CC1
InChIInChI=1S/C12H26N2O/c1-3-8-14(11-5-6-11)9-4-7-12(2,13)10-15/h11,15H,3-10,13H2,1-2H3
InChIKeySVPXMSMQCPIYRK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.35
Rot. Bonds8

About 2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol

2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol (PubChem CID 64797037) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol
PubChem CID64797037
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol
SMILESCCCN(CCCC(C)(N)CO)C1CC1
InChIInChI=1S/C12H26N2O/c1-3-8-14(11-5-6-11)9-4-7-12(2,13)10-15/h11,15H,3-10,13H2,1-2H3
InChIKeySVPXMSMQCPIYRK-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol (CID 64797037) is 2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol is CCCN(CCCC(C)(N)CO)C1CC1.
What is the InChIKey of 2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol?
The InChIKey is SVPXMSMQCPIYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-8-14(11-5-6-11)9-4-7-12(2,13)10-15/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol?
2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 64797037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).