4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol

C11H26N2O — CID 106045730

IUPAC4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
SMILESCC(C)N(C)CCCNCCCCO
InChIInChI=1S/C11H26N2O/c1-11(2)13(3)9-6-8-12-7-4-5-10-14/h11-12,14H,4-10H2,1-3H3
InChIKeyKGJWOPVBAKAXNG-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.08
Rot. Bonds9

About 4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol

4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol (PubChem CID 106045730) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol.

Molecular Properties

Compound Name4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
PubChem CID106045730
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
SMILESCC(C)N(C)CCCNCCCCO
InChIInChI=1S/C11H26N2O/c1-11(2)13(3)9-6-8-12-7-4-5-10-14/h11-12,14H,4-10H2,1-3H3
InChIKeyKGJWOPVBAKAXNG-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
CID 106045693
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
5-[2-[di(propan-2-yl)amino]ethylamino]pentan-1-ol
CID 62228638
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
CID 106044314
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016
3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol
CID 166090876

Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol?
The IUPAC name of 4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol (CID 106045730) is 4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol.
What is the SMILES notation for 4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol?
The canonical SMILES for 4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol is CC(C)N(C)CCCNCCCCO.
What is the InChIKey of 4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol?
The InChIKey is KGJWOPVBAKAXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-11(2)13(3)9-6-8-12-7-4-5-10-14/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol?
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol is sourced from PubChem (CID 106045730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).