2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide

C14H28N4O2 — CID 66224091

IUPAC2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide
SMILESCNC(CCCCCC(C)(NC1CC1)C(N)=O)C(N)=O
InChIInChI=1S/C14H28N4O2/c1-14(13(16)20,18-10-7-8-10)9-5-3-4-6-11(17-2)12(15)19/h10-11,17-18H,3-9H2,1-2H3,(H2,15,19)(H2,16,20)
InChIKeyCJOSFFYIJPWQCL-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.01
Rot. Bonds11

About 2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide

2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide (PubChem CID 66224091) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide
PubChem CID66224091
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide
SMILESCNC(CCCCCC(C)(NC1CC1)C(N)=O)C(N)=O
InChIInChI=1S/C14H28N4O2/c1-14(13(16)20,18-10-7-8-10)9-5-3-4-6-11(17-2)12(15)19/h10-11,17-18H,3-9H2,1-2H3,(H2,15,19)(H2,16,20)
InChIKeyCJOSFFYIJPWQCL-UHFFFAOYSA-N
XLogP0.01
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 54892635
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide
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CID 22984844
7,7-Dimethyl-3-(methylamino)azepan-2-one
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CID 54061223
1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cycloheptane-1-carboxamide
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CID 54191101
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CID 54272315

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide (CID 66224091) is 2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide is CNC(CCCCCC(C)(NC1CC1)C(N)=O)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide?
The InChIKey is CJOSFFYIJPWQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-14(13(16)20,18-10-7-8-10)9-5-3-4-6-11(17-2)12(15)19/h10-11,17-18H,3-9H2,1-2H3,(H2,15,19)(H2,16,20).
What are the key properties of 2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide?
2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide has a molecular weight of 284.40 g/mol, XLogP of 0.01, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide is sourced from PubChem (CID 66224091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).