[(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium

C12H26NO+ — CID 163508624

IUPAC[(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium
SMILESC[OH+]C[C@H]1CCC1CCCCCCN
InChIInChI=1S/C12H25NO/c1-14-10-12-8-7-11(12)6-4-2-3-5-9-13/h11-12H,2-10,13H2,1H3/p+1/t11?,12-/m1/s1
InChIKeyDATAVXIZZALPNS-PIJUOVFKSA-O
MW200.35 g/mol
LogP2.08
Rot. Bonds8

About [(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium

[(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium (PubChem CID 163508624) has the molecular formula C12H26NO+ and a molecular weight of 200.35 g/mol. Its IUPAC name is [(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium.

Molecular Properties

Compound Name[(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium
PubChem CID163508624
Molecular FormulaC12H26NO+
Molecular Weight200.35 g/mol
Exact Mass200.20
IUPAC Name[(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium
SMILESC[OH+]C[C@H]1CCC1CCCCCCN
InChIInChI=1S/C12H25NO/c1-14-10-12-8-7-11(12)6-4-2-3-5-9-13/h11-12H,2-10,13H2,1H3/p+1/t11?,12-/m1/s1
InChIKeyDATAVXIZZALPNS-PIJUOVFKSA-O
XLogP2.08
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

8-[2-(8-aminooctyl)-3,4-dioctylcyclohexyl]octan-1-amine
CID 156680959
5-[2-(5-aminopentyl)cyclopropyl]pentan-1-amine
CID 58260208
8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine
CID 174176703
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
10-(2-cyclohexylcyclohexyl)decan-1-amine
CID 174822141
(2,3-dihexyl-6-nonylcyclohexyl)methanamine
CID 161402447
[2-(3-methoxypropyl)cyclobutyl]methanamine
CID 81010610
10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine
CID 174822140
4-(2-tert-butylcyclopropyl)butan-1-amine
CID 170282350
6-cyclohexylhexan-1-amine
CID 19875455
6-(dithiolan-3-yl)hexan-1-amine
CID 142820519
hexane-1,6-diamine;methanamine
CID 174275715

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium?
The IUPAC name of [(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium (CID 163508624) is [(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium.
What is the SMILES notation for [(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium?
The canonical SMILES for [(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium is C[OH+]C[C@H]1CCC1CCCCCCN.
What is the InChIKey of [(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium?
The InChIKey is DATAVXIZZALPNS-PIJUOVFKSA-O. The full InChI is InChI=1S/C12H25NO/c1-14-10-12-8-7-11(12)6-4-2-3-5-9-13/h11-12H,2-10,13H2,1H3/p+1/t11?,12-/m1/s1.
What are the key properties of [(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium?
[(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium has a molecular weight of 200.35 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(6-aminohexyl)cyclobutyl]methyl-methyloxidanium is sourced from PubChem (CID 163508624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).