5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol

C11H26N2O — CID 103110031

IUPAC5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol
SMILESCCN(C)CC(C)NCCCC(C)O
InChIInChI=1S/C11H26N2O/c1-5-13(4)9-10(2)12-8-6-7-11(3)14/h10-12,14H,5-9H2,1-4H3
InChIKeyDKCQIHCXYMDHRQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.08
Rot. Bonds8

About 5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol

5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol (PubChem CID 103110031) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol
PubChem CID103110031
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol
SMILESCCN(C)CC(C)NCCCC(C)O
InChIInChI=1S/C11H26N2O/c1-5-13(4)9-10(2)12-8-6-7-11(3)14/h10-12,14H,5-9H2,1-4H3
InChIKeyDKCQIHCXYMDHRQ-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

5-(pentan-2-ylamino)pentan-2-ol
CID 107270408
2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109645
2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109664
1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
CID 103208202
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
5-(3-hydroxybutan-2-ylamino)pentan-2-ol
CID 106130571
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
(2S)-4-(butan-2-ylamino)butan-2-ol
CID 130638354
3-[1-(dimethylamino)propan-2-ylamino]propan-1-ol
CID 82937925
1-N-ethyl-2-N-[2-(1-methoxycyclobutyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 103556609
ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol
CID 142873748
(2R)-4-[[(2R)-heptan-2-yl]amino]butan-2-ol
CID 97030460

Frequently Asked Questions

What is the IUPAC name of 5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol?
The IUPAC name of 5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol (CID 103110031) is 5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol.
What is the SMILES notation for 5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol?
The canonical SMILES for 5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol is CCN(C)CC(C)NCCCC(C)O.
What is the InChIKey of 5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol?
The InChIKey is DKCQIHCXYMDHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-13(4)9-10(2)12-8-6-7-11(3)14/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol?
5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol is sourced from PubChem (CID 103110031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).