CID 58849446

C15H33N4O2 — CID 58849446

IUPAC—
SMILESCC(C)(C)OC(=O)NCCCNCCCCNCCC[NH]
InChIInChI=1S/C15H33N4O2/c1-15(2,3)21-14(20)19-13-7-12-18-10-5-4-9-17-11-6-8-16/h16-18H,4-13H2,1-3H3,(H,19,20)
InChIKeyPGKKXWRYKDUGAG-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.53
Rot. Bonds12

About CID 58849446

CID 58849446 (PubChem CID 58849446) has the molecular formula C15H33N4O2 and a molecular weight of 301.46 g/mol.

Molecular Properties

Compound NameCID 58849446
PubChem CID58849446
Molecular FormulaC15H33N4O2
Molecular Weight301.46 g/mol
Exact Mass301.26
IUPAC Name—
SMILESCC(C)(C)OC(=O)NCCCNCCCCNCCC[NH]
InChIInChI=1S/C15H33N4O2/c1-15(2,3)21-14(20)19-13-7-12-18-10-5-4-9-17-11-6-8-16/h16-18H,4-13H2,1-3H3,(H,19,20)
InChIKeyPGKKXWRYKDUGAG-UHFFFAOYSA-N
XLogP1.53
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.53
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

tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl N-[3-[3-[4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propylamino]butylamino]propylamino]-3-oxopropyl]carbamate
CID 10875262
tert-butyl N-[3-[3-(tert-butylamino)propylamino]propyl]carbamate
CID 139566779
tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate
CID 142525218
tert-butyl N-[3-[4-[3-[[10-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propylamino]-10-oxodecanoyl]amino]propylamino]butylamino]propyl]carbamate
CID 10190757
tert-butyl N-[3-(5-methylsulfanylpentylamino)propyl]carbamate
CID 107095523
tert-butyl N-[3-(2-methylsulfinylethylamino)propyl]carbamate
CID 115747869
tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate
CID 107095077
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
CID 5074020

Frequently Asked Questions

What is the IUPAC name of CID 58849446?
The IUPAC name of CID 58849446 (CID 58849446) is not available.
What is the SMILES notation for CID 58849446?
The canonical SMILES for CID 58849446 is CC(C)(C)OC(=O)NCCCNCCCCNCCC[NH].
What is the InChIKey of CID 58849446?
The InChIKey is PGKKXWRYKDUGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N4O2/c1-15(2,3)21-14(20)19-13-7-12-18-10-5-4-9-17-11-6-8-16/h16-18H,4-13H2,1-3H3,(H,19,20).
What are the key properties of CID 58849446?
CID 58849446 has a molecular weight of 301.46 g/mol, XLogP of 1.53, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58849446 is sourced from PubChem (CID 58849446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).