amino(6-aminoheptoxy)methanol

C8H20N2O2 — CID 87237972

IUPACamino(6-aminoheptoxy)methanol
SMILESCC(N)CCCCCOC(N)O
InChIInChI=1S/C8H20N2O2/c1-7(9)5-3-2-4-6-12-8(10)11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyBSOVOJOEHICYBR-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.15
Rot. Bonds7

About amino(6-aminoheptoxy)methanol

amino(6-aminoheptoxy)methanol (PubChem CID 87237972) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is amino(6-aminoheptoxy)methanol.

Molecular Properties

Compound Nameamino(6-aminoheptoxy)methanol
PubChem CID87237972
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Nameamino(6-aminoheptoxy)methanol
SMILESCC(N)CCCCCOC(N)O
InChIInChI=1S/C8H20N2O2/c1-7(9)5-3-2-4-6-12-8(10)11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyBSOVOJOEHICYBR-UHFFFAOYSA-N
XLogP0.15
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

docosane-2,21-diamine
CID 150079956
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine
CID 102721961
1-(17-methyloctadecoxy)ethanol
CID 87458732
7-ethoxysilyloxyheptan-2-amine
CID 123396575
5-aminohexyl dihydrogen phosphate
CID 18767611
(8S)-nonane-1,8-diamine
CID 87205838
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
(2S)-nonadecan-2-amine
CID 94864909
pentadecane-2,6,10,14-tetramine
CID 164971565

Frequently Asked Questions

What is the IUPAC name of amino(6-aminoheptoxy)methanol?
The IUPAC name of amino(6-aminoheptoxy)methanol (CID 87237972) is amino(6-aminoheptoxy)methanol.
What is the SMILES notation for amino(6-aminoheptoxy)methanol?
The canonical SMILES for amino(6-aminoheptoxy)methanol is CC(N)CCCCCOC(N)O.
What is the InChIKey of amino(6-aminoheptoxy)methanol?
The InChIKey is BSOVOJOEHICYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-7(9)5-3-2-4-6-12-8(10)11/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of amino(6-aminoheptoxy)methanol?
amino(6-aminoheptoxy)methanol has a molecular weight of 176.26 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino(6-aminoheptoxy)methanol is sourced from PubChem (CID 87237972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).