6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C16H35N3O — CID 64791917

IUPAC6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN1CCC(N(C)C)C1
InChIInChI=1S/C16H35N3O/c1-14(2)17-16(3,13-20)9-6-7-10-19-11-8-15(12-19)18(4)5/h14-15,17,20H,6-13H2,1-5H3
InChIKeyFDEDDQYGQVYDNI-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.54
Rot. Bonds9

About 6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64791917) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64791917
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN1CCC(N(C)C)C1
InChIInChI=1S/C16H35N3O/c1-14(2)17-16(3,13-20)9-6-7-10-19-11-8-15(12-19)18(4)5/h14-15,17,20H,6-13H2,1-5H3
InChIKeyFDEDDQYGQVYDNI-UHFFFAOYSA-N
XLogP1.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.54
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

5-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64795994
6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277
6-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 103540847
5-(3-ethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64797909
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 102968926
6-(2-ethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64795976
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol
CID 64787613
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutan-1-ol
CID 64791718
6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64798501
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825168
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylhexanoic acid
CID 63165554
5-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64796428

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64791917) is 6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCN1CCC(N(C)C)C1.
What is the InChIKey of 6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is FDEDDQYGQVYDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-14(2)17-16(3,13-20)9-6-7-10-19-11-8-15(12-19)18(4)5/h14-15,17,20H,6-13H2,1-5H3.
What are the key properties of 6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 285.48 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64791917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).