5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol

C12H25NO — CID 62227098

IUPAC5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol
SMILESCC(C)N(CCCCCO)CC1CC1
InChIInChI=1S/C12H25NO/c1-11(2)13(10-12-6-7-12)8-4-3-5-9-14/h11-12,14H,3-10H2,1-2H3
InChIKeyMCTRPIKWXZWHMT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds8

About 5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol

5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol (PubChem CID 62227098) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol
PubChem CID62227098
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol
SMILESCC(C)N(CCCCCO)CC1CC1
InChIInChI=1S/C12H25NO/c1-11(2)13(10-12-6-7-12)8-4-3-5-9-14/h11-12,14H,3-10H2,1-2H3
InChIKeyMCTRPIKWXZWHMT-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol?
The IUPAC name of 5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol (CID 62227098) is 5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol is CC(C)N(CCCCCO)CC1CC1.
What is the InChIKey of 5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol?
The InChIKey is MCTRPIKWXZWHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)13(10-12-6-7-12)8-4-3-5-9-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol?
5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(propan-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 62227098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).