1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol

C15H34N2O2 — CID 64820477

IUPAC1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol
SMILESCCC(CC)N(CCCCC(C)(O)CN)CCOC
InChIInChI=1S/C15H34N2O2/c1-5-14(6-2)17(11-12-19-4)10-8-7-9-15(3,18)13-16/h14,18H,5-13,16H2,1-4H3
InChIKeyNKWZCLVMXKAIHA-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.00
Rot. Bonds12

About 1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol

1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol (PubChem CID 64820477) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol
PubChem CID64820477
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol
SMILESCCC(CC)N(CCCCC(C)(O)CN)CCOC
InChIInChI=1S/C15H34N2O2/c1-5-14(6-2)17(11-12-19-4)10-8-7-9-15(3,18)13-16/h14,18H,5-13,16H2,1-4H3
InChIKeyNKWZCLVMXKAIHA-UHFFFAOYSA-N
XLogP2.00
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.00
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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Related Compounds

1-amino-2-methyl-5-[2-methylpropyl(pentan-3-yl)amino]pentan-2-ol
CID 79490065
1-amino-6-[ethyl(propan-2-yl)amino]-2-methylhexan-2-ol
CID 64820439
5-[2-methoxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
CID 65258033
1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol
CID 64819989
2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol
CID 106708019
1-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylpropan-2-ol
CID 64821364
1-amino-2-methyl-6-[2-methylpropyl(propan-2-yl)amino]hexan-2-ol
CID 64819799
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077
1-amino-5-(2-methoxyethoxy)-2-methylpentan-2-ol
CID 64812317
N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436
1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol
CID 64820243
1-amino-4-[butan-2-yl(butyl)amino]-2-methylbutan-2-ol
CID 64821823

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol (CID 64820477) is 1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol is CCC(CC)N(CCCCC(C)(O)CN)CCOC.
What is the InChIKey of 1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol?
The InChIKey is NKWZCLVMXKAIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-5-14(6-2)17(11-12-19-4)10-8-7-9-15(3,18)13-16/h14,18H,5-13,16H2,1-4H3.
What are the key properties of 1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol?
1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol has a molecular weight of 274.45 g/mol, XLogP of 2.00, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol is sourced from PubChem (CID 64820477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).