1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol

C13H31N3O — CID 160980404

IUPAC1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol
SMILESCN(C)CCCC(C)(CCCN(C)C)C(N)O
InChIInChI=1S/C13H31N3O/c1-13(12(14)17,8-6-10-15(2)3)9-7-11-16(4)5/h12,17H,6-11,14H2,1-5H3
InChIKeySZKYYFZDPFSEJR-UHFFFAOYSA-N
MW245.41 g/mol
LogP0.95
Rot. Bonds9

About 1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol

1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol (PubChem CID 160980404) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol
PubChem CID160980404
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol
SMILESCN(C)CCCC(C)(CCCN(C)C)C(N)O
InChIInChI=1S/C13H31N3O/c1-13(12(14)17,8-6-10-15(2)3)9-7-11-16(4)5/h12,17H,6-11,14H2,1-5H3
InChIKeySZKYYFZDPFSEJR-UHFFFAOYSA-N
XLogP0.95
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-3,3-dimethyl-5-hydroxypentanamine
CID 10421359
1-Amino-2-(1-ethyl-4-methylpiperidin-4-yl)ethanol
CID 66596433
1-Amino-5-(dimethylamino)-2-methylpentan-1-ol
CID 87390119
1-Amino-6-(dimethylamino)-3-[3-(dimethylamino)propyl]hexan-2-ol
CID 87707865
1,5-Diamino-2-ethyl-2-methylpentan-1-ol
CID 87944830
4,4-Dimethyl-5-(methylamino)pentan-1-ol
CID 94975401
2,2,4,4-Tetramethyl-5-(methylamino)pentan-1-ol
CID 117626294
4-[(Dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol
CID 123553677
2-Ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol
CID 123580868
2-(3-Aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol
CID 123958853
5-Amino-2-(3-aminopropyl)-2-propylpentan-1-ol
CID 132147917
2,2,3,3,4,4-Hexamethyl-5-(methylamino)pentan-1-ol
CID 134432261

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol?
The IUPAC name of 1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol (CID 160980404) is 1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol.
What is the SMILES notation for 1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol?
The canonical SMILES for 1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol is CN(C)CCCC(C)(CCCN(C)C)C(N)O.
What is the InChIKey of 1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol?
The InChIKey is SZKYYFZDPFSEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-13(12(14)17,8-6-10-15(2)3)9-7-11-16(4)5/h12,17H,6-11,14H2,1-5H3.
What are the key properties of 1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol?
1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol is sourced from PubChem (CID 160980404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).