4-methyl-3-(nonylamino)pentan-1-ol

C15H33NO — CID 106349451

IUPAC4-methyl-3-(nonylamino)pentan-1-ol
SMILESCCCCCCCCCNC(CCO)C(C)C
InChIInChI=1S/C15H33NO/c1-4-5-6-7-8-9-10-12-16-15(11-13-17)14(2)3/h14-17H,4-13H2,1-3H3
InChIKeyVUBFFFHGGDVRMI-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.73
Rot. Bonds12

About 4-methyl-3-(nonylamino)pentan-1-ol

4-methyl-3-(nonylamino)pentan-1-ol (PubChem CID 106349451) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 4-methyl-3-(nonylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(nonylamino)pentan-1-ol
PubChem CID106349451
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name4-methyl-3-(nonylamino)pentan-1-ol
SMILESCCCCCCCCCNC(CCO)C(C)C
InChIInChI=1S/C15H33NO/c1-4-5-6-7-8-9-10-12-16-15(11-13-17)14(2)3/h14-17H,4-13H2,1-3H3
InChIKeyVUBFFFHGGDVRMI-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
3-(octylamino)butan-1-ol
CID 83177243
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552
2-N-dodecyl-3-methylbutane-1,2-diamine
CID 106345395
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
methyl 4-[(1-hydroxy-4-methylpentan-3-yl)amino]butanoate
CID 104891908
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
(2S)-2-(hexylamino)propan-1-ol
CID 88509072
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(nonylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(nonylamino)pentan-1-ol (CID 106349451) is 4-methyl-3-(nonylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(nonylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(nonylamino)pentan-1-ol is CCCCCCCCCNC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-(nonylamino)pentan-1-ol?
The InChIKey is VUBFFFHGGDVRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-5-6-7-8-9-10-12-16-15(11-13-17)14(2)3/h14-17H,4-13H2,1-3H3.
What are the key properties of 4-methyl-3-(nonylamino)pentan-1-ol?
4-methyl-3-(nonylamino)pentan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 3.73, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(nonylamino)pentan-1-ol is sourced from PubChem (CID 106349451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).