6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol

C14H27N3O — CID 118300642

IUPAC6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol
SMILESCCCN(C)CCCN(C)C1=CC(O)C(N)C=C1
InChIInChI=1S/C14H27N3O/c1-4-8-16(2)9-5-10-17(3)12-6-7-13(15)14(18)11-12/h6-7,11,13-14,18H,4-5,8-10,15H2,1-3H3
InChIKeyULNRJHFCHWHARV-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.79
Rot. Bonds7

About 6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol

6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol (PubChem CID 118300642) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol
PubChem CID118300642
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol
SMILESCCCN(C)CCCN(C)C1=CC(O)C(N)C=C1
InChIInChI=1S/C14H27N3O/c1-4-8-16(2)9-5-10-17(3)12-6-7-13(15)14(18)11-12/h6-7,11,13-14,18H,4-5,8-10,15H2,1-3H3
InChIKeyULNRJHFCHWHARV-UHFFFAOYSA-N
XLogP0.79
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol (CID 118300642) is 6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol is CCCN(C)CCCN(C)C1=CC(O)C(N)C=C1.
What is the InChIKey of 6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol?
The InChIKey is ULNRJHFCHWHARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-8-16(2)9-5-10-17(3)12-6-7-13(15)14(18)11-12/h6-7,11,13-14,18H,4-5,8-10,15H2,1-3H3.
What are the key properties of 6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol?
6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol has a molecular weight of 253.39 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[methyl-[3-[methyl(propyl)amino]propyl]amino]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 118300642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).