(5-propylnonan-5-ylamino)methanol

C13H29NO — CID 90399487

IUPAC(5-propylnonan-5-ylamino)methanol
SMILESCCCCC(CCC)(CCCC)NCO
InChIInChI=1S/C13H29NO/c1-4-7-10-13(9-6-3,14-12-15)11-8-5-2/h14-15H,4-12H2,1-3H3
InChIKeyIQKNXKBDNYEEJC-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.45
Rot. Bonds10

About (5-propylnonan-5-ylamino)methanol

(5-propylnonan-5-ylamino)methanol (PubChem CID 90399487) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (5-propylnonan-5-ylamino)methanol.

Molecular Properties

Compound Name(5-propylnonan-5-ylamino)methanol
PubChem CID90399487
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(5-propylnonan-5-ylamino)methanol
SMILESCCCCC(CCC)(CCCC)NCO
InChIInChI=1S/C13H29NO/c1-4-7-10-13(9-6-3,14-12-15)11-8-5-2/h14-15H,4-12H2,1-3H3
InChIKeyIQKNXKBDNYEEJC-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-propyloctan-4-amine
CID 593646
phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine
CID 87917867
3-propyl-3-(propylamino)hexan-1-ol
CID 65234503
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol
CID 19798932
2-(iodomethyl)-2-propylhexan-1-ol
CID 154188986
3-(3-aminopropylamino)-3-heptadecylpentane-1,5-diol;dihydrofluoride
CID 161266865
ethyl 6-(4-propylheptadecan-4-ylamino)hexanoate
CID 20571646
4-propyl-N-prop-2-ynylheptan-4-amine;hydrochloride
CID 3049079
4,4-dibutyloctan-1-ol
CID 58892760
2-(2-hydroxyethylamino)-2-methylhexan-1-ol
CID 146587998
3-(oxidoamino)-3-tridecylpentane-1,5-diol
CID 22561137

Frequently Asked Questions

What is the IUPAC name of (5-propylnonan-5-ylamino)methanol?
The IUPAC name of (5-propylnonan-5-ylamino)methanol (CID 90399487) is (5-propylnonan-5-ylamino)methanol.
What is the SMILES notation for (5-propylnonan-5-ylamino)methanol?
The canonical SMILES for (5-propylnonan-5-ylamino)methanol is CCCCC(CCC)(CCCC)NCO.
What is the InChIKey of (5-propylnonan-5-ylamino)methanol?
The InChIKey is IQKNXKBDNYEEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-7-10-13(9-6-3,14-12-15)11-8-5-2/h14-15H,4-12H2,1-3H3.
What are the key properties of (5-propylnonan-5-ylamino)methanol?
(5-propylnonan-5-ylamino)methanol has a molecular weight of 215.38 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propylnonan-5-ylamino)methanol is sourced from PubChem (CID 90399487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).