6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol

C14H30N2O — CID 64789640

IUPAC6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol
SMILESCCN(CCCCC(C)(CO)NC)CC1CC1
InChIInChI=1S/C14H30N2O/c1-4-16(11-13-7-8-13)10-6-5-9-14(2,12-17)15-3/h13,15,17H,4-12H2,1-3H3
InChIKeyLIKNCBDEJJZTNT-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds10

About 6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol

6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol (PubChem CID 64789640) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol.

Molecular Properties

Compound Name6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol
PubChem CID64789640
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol
SMILESCCN(CCCCC(C)(CO)NC)CC1CC1
InChIInChI=1S/C14H30N2O/c1-4-16(11-13-7-8-13)10-6-5-9-14(2,12-17)15-3/h13,15,17H,4-12H2,1-3H3
InChIKeyLIKNCBDEJJZTNT-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol?
The IUPAC name of 6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol (CID 64789640) is 6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol.
What is the SMILES notation for 6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol?
The canonical SMILES for 6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol is CCN(CCCCC(C)(CO)NC)CC1CC1.
What is the InChIKey of 6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol?
The InChIKey is LIKNCBDEJJZTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-16(11-13-7-8-13)10-6-5-9-14(2,12-17)15-3/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol?
6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol is sourced from PubChem (CID 64789640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).