2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol

C17H37N3O — CID 64791476

IUPAC2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN(C)CCN1CCCC1
InChIInChI=1S/C17H37N3O/c1-4-10-18-17(2,16-21)9-5-6-11-19(3)14-15-20-12-7-8-13-20/h18,21H,4-16H2,1-3H3
InChIKeyOKWCVLMFGRMQAZ-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.93
Rot. Bonds12

About 2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol

2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol (PubChem CID 64791476) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
PubChem CID64791476
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN(C)CCN1CCCC1
InChIInChI=1S/C17H37N3O/c1-4-10-18-17(2,16-21)9-5-6-11-19(3)14-15-20-12-7-8-13-20/h18,21H,4-16H2,1-3H3
InChIKeyOKWCVLMFGRMQAZ-UHFFFAOYSA-N
XLogP1.93
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791065
6-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propylamino)hexan-1-ol
CID 64825383
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide
CID 63210817
2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64790274
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 65286793
5-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64787636
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol
CID 64798749
6-(azocan-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
CID 64796025
6-(dipropylamino)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796522
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 65286693
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol?
The IUPAC name of 2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol (CID 64791476) is 2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol?
The canonical SMILES for 2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCN(C)CCN1CCCC1.
What is the InChIKey of 2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol?
The InChIKey is OKWCVLMFGRMQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-4-10-18-17(2,16-21)9-5-6-11-19(3)14-15-20-12-7-8-13-20/h18,21H,4-16H2,1-3H3.
What are the key properties of 2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol?
2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 1.93, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64791476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).