6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol

C11H24N2O — CID 89073807

IUPAC6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol
SMILESC=C(CCCC(C)N)C(O)NC(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)13-11(14)9(3)6-5-7-10(4)12/h8,10-11,13-14H,3,5-7,12H2,1-2,4H3
InChIKeyHWPHQEFVBNRMBO-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.38
Rot. Bonds7

About 6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol

6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol (PubChem CID 89073807) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol.

Molecular Properties

Compound Name6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol
PubChem CID89073807
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol
SMILESC=C(CCCC(C)N)C(O)NC(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)13-11(14)9(3)6-5-7-10(4)12/h8,10-11,13-14H,3,5-7,12H2,1-2,4H3
InChIKeyHWPHQEFVBNRMBO-UHFFFAOYSA-N
XLogP1.38
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol?
The IUPAC name of 6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol (CID 89073807) is 6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol.
What is the SMILES notation for 6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol?
The canonical SMILES for 6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol is C=C(CCCC(C)N)C(O)NC(C)C.
What is the InChIKey of 6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol?
The InChIKey is HWPHQEFVBNRMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)13-11(14)9(3)6-5-7-10(4)12/h8,10-11,13-14H,3,5-7,12H2,1-2,4H3.
What are the key properties of 6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol?
6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylidene-1-(propan-2-ylamino)heptan-1-ol is sourced from PubChem (CID 89073807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).