2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol

C17H34N2O2 — CID 64790597

IUPAC2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol
SMILESCN(CCCCC(C)(CO)NC1CC1)CC1CCOCC1
InChIInChI=1S/C17H34N2O2/c1-17(14-20,18-16-5-6-16)9-3-4-10-19(2)13-15-7-11-21-12-8-15/h15-16,18,20H,3-14H2,1-2H3
InChIKeyDOCOTCWHEJCUDA-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.02
Rot. Bonds10

About 2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol

2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol (PubChem CID 64790597) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol
PubChem CID64790597
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol
SMILESCN(CCCCC(C)(CO)NC1CC1)CC1CCOCC1
InChIInChI=1S/C17H34N2O2/c1-17(14-20,18-16-5-6-16)9-3-4-10-19(2)13-15-7-11-21-12-8-15/h15-16,18,20H,3-14H2,1-2H3
InChIKeyDOCOTCWHEJCUDA-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.02
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

2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
CID 64791196
6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64786465
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788794
2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol
CID 64826615
2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 64825233
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile
CID 63713353
2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
CID 64796135
2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
CID 64827729
2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
CID 63711791
2-(cyclopropylamino)-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64826457
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 63711272

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol (CID 64790597) is 2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol is CN(CCCCC(C)(CO)NC1CC1)CC1CCOCC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol?
The InChIKey is DOCOTCWHEJCUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-17(14-20,18-16-5-6-16)9-3-4-10-19(2)13-15-7-11-21-12-8-15/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol?
2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol has a molecular weight of 298.47 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol is sourced from PubChem (CID 64790597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).