1-(1-aminobutylamino)heptan-1-ol

C11H26N2O — CID 142734448

IUPAC1-(1-aminobutylamino)heptan-1-ol
SMILESCCCCCCC(O)NC(N)CCC
InChIInChI=1S/C11H26N2O/c1-3-5-6-7-9-11(14)13-10(12)8-4-2/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyDUJVDSGQZIGPEC-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.95
Rot. Bonds9

About 1-(1-aminobutylamino)heptan-1-ol

1-(1-aminobutylamino)heptan-1-ol (PubChem CID 142734448) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(1-aminobutylamino)heptan-1-ol.

Molecular Properties

Compound Name1-(1-aminobutylamino)heptan-1-ol
PubChem CID142734448
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-(1-aminobutylamino)heptan-1-ol
SMILESCCCCCCC(O)NC(N)CCC
InChIInChI=1S/C11H26N2O/c1-3-5-6-7-9-11(14)13-10(12)8-4-2/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyDUJVDSGQZIGPEC-UHFFFAOYSA-N
XLogP1.95
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-(1-hydroxyethylamino)hexan-1-ol
CID 57293401
1-(heptan-2-ylamino)butan-1-ol
CID 155661002
1-(octan-3-ylamino)hexan-1-ol
CID 155661048
1-aminohexadecan-1-ol
CID 21475561
1-(propylamino)nonan-1-ol
CID 88518015
1-(ethylamino)tetradecan-1-ol
CID 88518024
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(octylamino)dodecan-1-ol
CID 88518081
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
1-(propylamino)dodecan-1-ol
CID 88518023

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutylamino)heptan-1-ol?
The IUPAC name of 1-(1-aminobutylamino)heptan-1-ol (CID 142734448) is 1-(1-aminobutylamino)heptan-1-ol.
What is the SMILES notation for 1-(1-aminobutylamino)heptan-1-ol?
The canonical SMILES for 1-(1-aminobutylamino)heptan-1-ol is CCCCCCC(O)NC(N)CCC.
What is the InChIKey of 1-(1-aminobutylamino)heptan-1-ol?
The InChIKey is DUJVDSGQZIGPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-3-5-6-7-9-11(14)13-10(12)8-4-2/h10-11,13-14H,3-9,12H2,1-2H3.
What are the key properties of 1-(1-aminobutylamino)heptan-1-ol?
1-(1-aminobutylamino)heptan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobutylamino)heptan-1-ol is sourced from PubChem (CID 142734448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).