N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide

C11H21N3O2 — CID 108940978

IUPACN'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide
SMILESCN(C)CCCNC(=O)CC(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-14(2)7-3-6-12-10(15)8-11(16)13-9-4-5-9/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyGVEMSTAEQDRMFB-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.28
Rot. Bonds7

About N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide

N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide (PubChem CID 108940978) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide
PubChem CID108940978
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide
SMILESCN(C)CCCNC(=O)CC(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-14(2)7-3-6-12-10(15)8-11(16)13-9-4-5-9/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyGVEMSTAEQDRMFB-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
N'-cyclopropyl-N-(3-methoxypropyl)propanediamide
CID 108940973
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108957385
N'-cyclopentyl-N-pentylpropanediamide
CID 108942192
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide
CID 3312354
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide
CID 108942501
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
CID 46993948
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide?
The IUPAC name of N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide (CID 108940978) is N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide.
What is the SMILES notation for N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide?
The canonical SMILES for N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide is CN(C)CCCNC(=O)CC(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide?
The InChIKey is GVEMSTAEQDRMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-14(2)7-3-6-12-10(15)8-11(16)13-9-4-5-9/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide?
N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide has a molecular weight of 227.31 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide is sourced from PubChem (CID 108940978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).