4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol

C12H28N2O — CID 115971833

IUPAC4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol
SMILESCCN(CC)CC(C)NC(C)CCCO
InChIInChI=1S/C12H28N2O/c1-5-14(6-2)10-12(4)13-11(3)8-7-9-15/h11-13,15H,5-10H2,1-4H3
InChIKeyGIACYCLRMFSCPM-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.47
Rot. Bonds9

About 4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol

4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol (PubChem CID 115971833) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol
PubChem CID115971833
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol
SMILESCCN(CC)CC(C)NC(C)CCCO
InChIInChI=1S/C12H28N2O/c1-5-14(6-2)10-12(4)13-11(3)8-7-9-15/h11-13,15H,5-10H2,1-4H3
InChIKeyGIACYCLRMFSCPM-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[[(2S)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051627
(4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051624
3-(hexan-2-ylamino)butan-1-ol
CID 81338957
(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol
CID 97051592
(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
CID 97051570
4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
CID 103949543
4-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582956
4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol
CID 115972098
5-[5-(diethylamino)pentan-2-ylamino]pentan-1-ol
CID 55053099
8-(diethylamino)octane-1,7-diol
CID 19030812
3-(5-methylhexan-2-ylamino)butan-1-ol
CID 81338703
4-(diethylamino)pentan-1-ol
CID 87480053

Frequently Asked Questions

What is the IUPAC name of 4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol?
The IUPAC name of 4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol (CID 115971833) is 4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol.
What is the SMILES notation for 4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol?
The canonical SMILES for 4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol is CCN(CC)CC(C)NC(C)CCCO.
What is the InChIKey of 4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol?
The InChIKey is GIACYCLRMFSCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-14(6-2)10-12(4)13-11(3)8-7-9-15/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol?
4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol is sourced from PubChem (CID 115971833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).