4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol

C14H33N3O — CID 64789380

IUPAC4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol
SMILESCCCN(CCC(CO)NC(C)C)CCN(C)C
InChIInChI=1S/C14H33N3O/c1-6-8-17(11-10-16(4)5)9-7-14(12-18)15-13(2)3/h13-15,18H,6-12H2,1-5H3
InChIKeyUDEDYCUVJGANFM-UHFFFAOYSA-N
MW259.44 g/mol
LogP1.01
Rot. Bonds11

About 4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol

4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64789380) has the molecular formula C14H33N3O and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol
PubChem CID64789380
Molecular FormulaC14H33N3O
Molecular Weight259.44 g/mol
Exact Mass259.26
IUPAC Name4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol
SMILESCCCN(CCC(CO)NC(C)C)CCN(C)C
InChIInChI=1S/C14H33N3O/c1-6-8-17(11-10-16(4)5)9-7-14(12-18)15-13(2)3/h13-15,18H,6-12H2,1-5H3
InChIKeyUDEDYCUVJGANFM-UHFFFAOYSA-N
XLogP1.01
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol
CID 64789571
4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol
CID 64796057
4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826950
4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826563
N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine
CID 81080602
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 81064401
3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826926
1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine
CID 62625207
3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64796603
5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol
CID 62228988
4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol
CID 64798491
N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine
CID 55089009

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol (CID 64789380) is 4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol is CCCN(CCC(CO)NC(C)C)CCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is UDEDYCUVJGANFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O/c1-6-8-17(11-10-16(4)5)9-7-14(12-18)15-13(2)3/h13-15,18H,6-12H2,1-5H3.
What are the key properties of 4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol?
4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 259.44 g/mol, XLogP of 1.01, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64789380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).