3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol

C16H37N3O — CID 102992599

IUPAC3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol
SMILESCCN(CC)CCCN(CC)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C16H37N3O/c1-7-18(8-2)11-10-12-19(9-3)14(13-20)15(17)16(4,5)6/h14-15,20H,7-13,17H2,1-6H3
InChIKeyPWFXCROTBKBYSV-UHFFFAOYSA-N
MW287.49 g/mol
LogP1.77
Rot. Bonds10

About 3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol

3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol (PubChem CID 102992599) has the molecular formula C16H37N3O and a molecular weight of 287.49 g/mol. Its IUPAC name is 3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol
PubChem CID102992599
Molecular FormulaC16H37N3O
Molecular Weight287.49 g/mol
Exact Mass287.29
IUPAC Name3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol
SMILESCCN(CC)CCCN(CC)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C16H37N3O/c1-7-18(8-2)11-10-12-19(9-3)14(13-20)15(17)16(4,5)6/h14-15,20H,7-13,17H2,1-6H3
InChIKeyPWFXCROTBKBYSV-UHFFFAOYSA-N
XLogP1.77
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol
CID 114357327
3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356500
3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
CID 114356628
3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol
CID 114357352
3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
CID 102995838
(2R)-2-amino-5-(diethylamino)pentan-1-ol
CID 131859240
2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine
CID 102997714
3-amino-4,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-1-ol
CID 114356461
3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114357181
2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid
CID 102994758
5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol
CID 14615618
2-[3-(diethylamino)propyl-ethylamino]propanimidamide
CID 102993857

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol (CID 102992599) is 3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol is CCN(CC)CCCN(CC)C(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is PWFXCROTBKBYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3O/c1-7-18(8-2)11-10-12-19(9-3)14(13-20)15(17)16(4,5)6/h14-15,20H,7-13,17H2,1-6H3.
What are the key properties of 3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol?
3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 287.49 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 102992599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).