N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide

C14H27N3O — CID 71931538

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide
SMILESCN(CCNC(=O)N1CCCCCCC1)C2CC2
InChIInChI=1S/C14H27N3O/c1-16(13-7-8-13)12-9-15-14(18)17-10-5-3-2-4-6-11-17/h13H,2-12H2,1H3,(H,15,18)
InChIKeyIVAPVTNKIICFET-UHFFFAOYSA-N
MW253.38 g/mol
LogP1.90
Rot. Bonds4

About N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide

N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide (PubChem CID 71931538) has the molecular formula C14H27N3O and a molecular weight of 253.38 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide
PubChem CID71931538
Molecular FormulaC14H27N3O
Molecular Weight253.38 g/mol
Exact Mass253.22
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide
SMILESCN(CCNC(=O)N1CCCCCCC1)C2CC2
InChIInChI=1S/C14H27N3O/c1-16(13-7-8-13)12-9-15-14(18)17-10-5-3-2-4-6-11-17/h13H,2-12H2,1H3,(H,15,18)
InChIKeyIVAPVTNKIICFET-UHFFFAOYSA-N
XLogP1.90
TPSA35.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity258

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexylazocane-1-carboxamide
CID 3245060
Diazabicyclooctanone
CID 129735677
1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea
CID 53553549
N-cyclopropyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 72146785
1,5-Dipentylimidazolidin-2-one
CID 68722136
N-heptan-3-yl-4-methylpiperazine-1-carboxamide
CID 69674744
1-(2-Aminoethyl)-3-heptyl-1-propylurea
CID 90305106
1-[6-(Cyclopropylamino)hexan-2-yl]-3-pentan-2-ylurea
CID 91488717
1-Cyclopropyl-3-(1-methylpiperidin-3-yl)urea
CID 115589802
1-[2-(Dimethylamino)ethyl]-1-ethyl-3-heptan-3-ylurea
CID 123640471
3-Cyclooctyl-1-propyl-1-[2-(propylamino)ethyl]urea
CID 138554809
3-(7-Aminoheptyl)-1,1-di(propan-2-yl)urea
CID 154642831

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide (CID 71931538) is N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide is CN(CCNC(=O)N1CCCCCCC1)C2CC2.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide?
The InChIKey is IVAPVTNKIICFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16(13-7-8-13)12-9-15-14(18)17-10-5-3-2-4-6-11-17/h13H,2-12H2,1H3,(H,15,18).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide has a molecular weight of 253.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide is sourced from PubChem (CID 71931538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).