1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol

C13H28N2O — CID 64820271

IUPAC1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol
SMILESCC1CC1CN(C)CCCCC(C)(O)CN
InChIInChI=1S/C13H28N2O/c1-11-8-12(11)9-15(3)7-5-4-6-13(2,16)10-14/h11-12,16H,4-10,14H2,1-3H3
InChIKeyINFZUPSBJQLHGA-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.45
Rot. Bonds8

About 1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol

1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol (PubChem CID 64820271) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol
PubChem CID64820271
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol
SMILESCC1CC1CN(C)CCCCC(C)(O)CN
InChIInChI=1S/C13H28N2O/c1-11-8-12(11)9-15(3)7-5-4-6-13(2,16)10-14/h11-12,16H,4-10,14H2,1-3H3
InChIKeyINFZUPSBJQLHGA-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.45
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 1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol?
The IUPAC name of 1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol (CID 64820271) is 1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol?
The canonical SMILES for 1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol is CC1CC1CN(C)CCCCC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol?
The InChIKey is INFZUPSBJQLHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11-8-12(11)9-15(3)7-5-4-6-13(2,16)10-14/h11-12,16H,4-10,14H2,1-3H3.
What are the key properties of 1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol?
1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol is sourced from PubChem (CID 64820271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).