N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide

C9H19N3O2 — CID 61247750

IUPACN-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CCN
InChIInChI=1S/C9H19N3O2/c1-7(2)9(14)12-6-5-11-8(13)3-4-10/h7H,3-6,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyLWFBUZJXDCHUDP-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.78
Rot. Bonds6

About N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide

N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide (PubChem CID 61247750) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
PubChem CID61247750
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CCN
InChIInChI=1S/C9H19N3O2/c1-7(2)9(14)12-6-5-11-8(13)3-4-10/h7H,3-6,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyLWFBUZJXDCHUDP-UHFFFAOYSA-N
XLogP-0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
CID 82012399
3-amino-N-[(3S)-3-hydroxybutyl]propanamide
CID 86323935
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
CID 119687959
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-(aminomethyl)-2-methylpropanamide
CID 88582106
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
3-amino-N-butylpropanamide;butane;ethane;pentane
CID 143654511

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide (CID 61247750) is N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)CCN.
What is the InChIKey of N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide?
The InChIKey is LWFBUZJXDCHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(2)9(14)12-6-5-11-8(13)3-4-10/h7H,3-6,10H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide?
N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide has a molecular weight of 201.27 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 61247750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).