7-amino-3-(methylamino)hept-1-en-2-ol;ethane

C10H24N2O — CID 169237013

IUPAC7-amino-3-(methylamino)hept-1-en-2-ol;ethane
SMILESC=C(O)C(CCCCN)NC.CC
InChIInChI=1S/C8H18N2O.C2H6/c1-7(11)8(10-2)5-3-4-6-9;1-2/h8,10-11H,1,3-6,9H2,2H3;1-2H3
InChIKeyGUHCLAJPFYYNRO-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.80
Rot. Bonds6

About 7-amino-3-(methylamino)hept-1-en-2-ol;ethane

7-amino-3-(methylamino)hept-1-en-2-ol;ethane (PubChem CID 169237013) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 7-amino-3-(methylamino)hept-1-en-2-ol;ethane.

Molecular Properties

Compound Name7-amino-3-(methylamino)hept-1-en-2-ol;ethane
PubChem CID169237013
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name7-amino-3-(methylamino)hept-1-en-2-ol;ethane
SMILESC=C(O)C(CCCCN)NC.CC
InChIInChI=1S/C8H18N2O.C2H6/c1-7(11)8(10-2)5-3-4-6-9;1-2/h8,10-11H,1,3-6,9H2,2H3;1-2H3
InChIKeyGUHCLAJPFYYNRO-UHFFFAOYSA-N
XLogP1.80
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(methylamino)hept-1-en-2-ol;ethane?
The IUPAC name of 7-amino-3-(methylamino)hept-1-en-2-ol;ethane (CID 169237013) is 7-amino-3-(methylamino)hept-1-en-2-ol;ethane.
What is the SMILES notation for 7-amino-3-(methylamino)hept-1-en-2-ol;ethane?
The canonical SMILES for 7-amino-3-(methylamino)hept-1-en-2-ol;ethane is C=C(O)C(CCCCN)NC.CC.
What is the InChIKey of 7-amino-3-(methylamino)hept-1-en-2-ol;ethane?
The InChIKey is GUHCLAJPFYYNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C2H6/c1-7(11)8(10-2)5-3-4-6-9;1-2/h8,10-11H,1,3-6,9H2,2H3;1-2H3.
What are the key properties of 7-amino-3-(methylamino)hept-1-en-2-ol;ethane?
7-amino-3-(methylamino)hept-1-en-2-ol;ethane has a molecular weight of 188.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(methylamino)hept-1-en-2-ol;ethane is sourced from PubChem (CID 169237013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).