1-[methyl(pentyl)amino]propan-1-ol

C9H21NO — CID 87216398

IUPAC1-[methyl(pentyl)amino]propan-1-ol
SMILESCCCCCN(C)C(O)CC
InChIInChI=1S/C9H21NO/c1-4-6-7-8-10(3)9(11)5-2/h9,11H,4-8H2,1-3H3
InChIKeyYOQGFXFOEKXCOA-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.84
Rot. Bonds6

About 1-[methyl(pentyl)amino]propan-1-ol

1-[methyl(pentyl)amino]propan-1-ol (PubChem CID 87216398) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-[methyl(pentyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[methyl(pentyl)amino]propan-1-ol
PubChem CID87216398
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-[methyl(pentyl)amino]propan-1-ol
SMILESCCCCCN(C)C(O)CC
InChIInChI=1S/C9H21NO/c1-4-6-7-8-10(3)9(11)5-2/h9,11H,4-8H2,1-3H3
InChIKeyYOQGFXFOEKXCOA-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[decyl(methyl)amino]propan-1-ol;hydrochloride
CID 175358956
1-[methyl(propyl)amino]propan-1-ol
CID 118973060
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
1-[di(nonadecyl)amino]propan-1-ol
CID 87359207
1-(dioctadecylamino)propan-1-ol;hydrochloride
CID 173142418
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
1-[dodecyl(methyl)amino]ethyl-trimethylazanium
CID 141440762
N-methyl-N-pent-1-en-3-ylpentan-1-amine
CID 123466657
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
(1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen
CID 144534942
3-[methyl(pentyl)amino]butanoic acid
CID 43537465

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pentyl)amino]propan-1-ol?
The IUPAC name of 1-[methyl(pentyl)amino]propan-1-ol (CID 87216398) is 1-[methyl(pentyl)amino]propan-1-ol.
What is the SMILES notation for 1-[methyl(pentyl)amino]propan-1-ol?
The canonical SMILES for 1-[methyl(pentyl)amino]propan-1-ol is CCCCCN(C)C(O)CC.
What is the InChIKey of 1-[methyl(pentyl)amino]propan-1-ol?
The InChIKey is YOQGFXFOEKXCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-6-7-8-10(3)9(11)5-2/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[methyl(pentyl)amino]propan-1-ol?
1-[methyl(pentyl)amino]propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pentyl)amino]propan-1-ol is sourced from PubChem (CID 87216398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).