CID 158112465

C18H39N3NaO2 — CID 158112465

IUPAC—
SMILESCCCCCCCCCCCCC(C(=O)O)N(CCN)CCN.[Na]
InChIInChI=1S/C18H39N3O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17(18(22)23)21(15-13-19)16-14-20;/h17H,2-16,19-20H2,1H3,(H,22,23);
InChIKeyFQPIUCVYAYFKJP-UHFFFAOYSA-N
MW352.52 g/mol
LogP2.59
Rot. Bonds17

About CID 158112465

CID 158112465 (PubChem CID 158112465) has the molecular formula C18H39N3NaO2 and a molecular weight of 352.52 g/mol.

Molecular Properties

Compound NameCID 158112465
PubChem CID158112465
Molecular FormulaC18H39N3NaO2
Molecular Weight352.52 g/mol
Exact Mass352.29
IUPAC Name—
SMILESCCCCCCCCCCCCC(C(=O)O)N(CCN)CCN.[Na]
InChIInChI=1S/C18H39N3O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17(18(22)23)21(15-13-19)16-14-20;/h17H,2-16,19-20H2,1H3,(H,22,23);
InChIKeyFQPIUCVYAYFKJP-UHFFFAOYSA-N
XLogP2.59
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopropanoic acid;2-[bis(2-aminoethyl)amino]tetradecanoic acid
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(2S)-6-amino-2-(dipentylamino)hexanoic acid
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2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
2-(diethylamino)heptanoic acid
CID 43803668
CID 175857713
CID 175857713
2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid
CID 155231128
2-(dimethylamino)tetracosanoic acid
CID 19101458
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158
5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid
CID 177260030
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856

Frequently Asked Questions

What is the IUPAC name of CID 158112465?
The IUPAC name of CID 158112465 (CID 158112465) is not available.
What is the SMILES notation for CID 158112465?
The canonical SMILES for CID 158112465 is CCCCCCCCCCCCC(C(=O)O)N(CCN)CCN.[Na].
What is the InChIKey of CID 158112465?
The InChIKey is FQPIUCVYAYFKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17(18(22)23)21(15-13-19)16-14-20;/h17H,2-16,19-20H2,1H3,(H,22,23);.
What are the key properties of CID 158112465?
CID 158112465 has a molecular weight of 352.52 g/mol, XLogP of 2.59, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158112465 is sourced from PubChem (CID 158112465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).