4-(diethylamino)pentan-1-ol

C9H21NO — CID 87480053

IUPAC4-(diethylamino)pentan-1-ol
SMILESCCN(CC)C(C)CCCO
InChIInChI=1S/C9H21NO/c1-4-10(5-2)9(3)7-6-8-11/h9,11H,4-8H2,1-3H3
InChIKeyXBWPRQHAZYUJQE-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds6

About 4-(diethylamino)pentan-1-ol

4-(diethylamino)pentan-1-ol (PubChem CID 87480053) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-(diethylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(diethylamino)pentan-1-ol
PubChem CID87480053
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-(diethylamino)pentan-1-ol
SMILESCCN(CC)C(C)CCCO
InChIInChI=1S/C9H21NO/c1-4-10(5-2)9(3)7-6-8-11/h9,11H,4-8H2,1-3H3
InChIKeyXBWPRQHAZYUJQE-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
5-N,5-N-diethylhexane-1,5-diamine
CID 20587648
3-[butan-2-yl(ethyl)amino]propan-1-ol
CID 43509660
4,7-dimethylnonan-1-ol
CID 87272409
3-[ethyl(nonan-5-yl)amino]propan-1-ol
CID 88539707
1-[ethyl(3-hydroxypropyl)amino]butan-1-ol
CID 90465206
3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 91045887
4-[ethyl(nonan-5-yl)amino]butan-1-ol
CID 88539737
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055
4-butan-2-yloctan-1-ol
CID 57029732
N-ethyl-N-propylicosan-2-amine
CID 172693354
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)pentan-1-ol?
The IUPAC name of 4-(diethylamino)pentan-1-ol (CID 87480053) is 4-(diethylamino)pentan-1-ol.
What is the SMILES notation for 4-(diethylamino)pentan-1-ol?
The canonical SMILES for 4-(diethylamino)pentan-1-ol is CCN(CC)C(C)CCCO.
What is the InChIKey of 4-(diethylamino)pentan-1-ol?
The InChIKey is XBWPRQHAZYUJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-10(5-2)9(3)7-6-8-11/h9,11H,4-8H2,1-3H3.
What are the key properties of 4-(diethylamino)pentan-1-ol?
4-(diethylamino)pentan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)pentan-1-ol is sourced from PubChem (CID 87480053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).