1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol

C14H30N2O2 — CID 64818891

IUPAC1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol
SMILESCCN(CCCCC(C)(O)CN)CC1CCCO1
InChIInChI=1S/C14H30N2O2/c1-3-16(11-13-7-6-10-18-13)9-5-4-8-14(2,17)12-15/h13,17H,3-12,15H2,1-2H3
InChIKeySUZDDONULJZRBG-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.37
Rot. Bonds9

About 1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol

1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol (PubChem CID 64818891) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol
PubChem CID64818891
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol
SMILESCCN(CCCCC(C)(O)CN)CC1CCCO1
InChIInChI=1S/C14H30N2O2/c1-3-16(11-13-7-6-10-18-13)9-5-4-8-14(2,17)12-15/h13,17H,3-12,15H2,1-2H3
InChIKeySUZDDONULJZRBG-UHFFFAOYSA-N
XLogP1.37
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol (CID 64818891) is 1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol is CCN(CCCCC(C)(O)CN)CC1CCCO1.
What is the InChIKey of 1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol?
The InChIKey is SUZDDONULJZRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-3-16(11-13-7-6-10-18-13)9-5-4-8-14(2,17)12-15/h13,17H,3-12,15H2,1-2H3.
What are the key properties of 1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol?
1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-[ethyl(oxolan-2-ylmethyl)amino]-2-methylhexan-2-ol is sourced from PubChem (CID 64818891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).