N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide

C10H23N5O — CID 146580072

IUPACN-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C10H23N5O/c1-7(2)9(16)15-6-8(11)4-3-5-14-10(12)13/h7-8H,3-6,11H2,1-2H3,(H,15,16)(H4,12,13,14)/t8-/m0/s1
InChIKeyUCSJUMNUHXXCHR-QMMMGPOBSA-N
MW229.33 g/mol
LogP-0.86
Rot. Bonds7

About N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide

N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide (PubChem CID 146580072) has the molecular formula C10H23N5O and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide
PubChem CID146580072
Molecular FormulaC10H23N5O
Molecular Weight229.33 g/mol
Exact Mass229.19
IUPAC NameN-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C10H23N5O/c1-7(2)9(16)15-6-8(11)4-3-5-14-10(12)13/h7-8H,3-6,11H2,1-2H3,(H,15,16)(H4,12,13,14)/t8-/m0/s1
InChIKeyUCSJUMNUHXXCHR-QMMMGPOBSA-N
XLogP-0.86
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide (CID 146580072) is N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide is CC(C)C(=O)NC[C@@H](N)CCCN=C(N)N.
What is the InChIKey of N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide?
The InChIKey is UCSJUMNUHXXCHR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H23N5O/c1-7(2)9(16)15-6-8(11)4-3-5-14-10(12)13/h7-8H,3-6,11H2,1-2H3,(H,15,16)(H4,12,13,14)/t8-/m0/s1.
What are the key properties of N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide?
N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide has a molecular weight of 229.33 g/mol, XLogP of -0.86, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-2-methylpropanamide is sourced from PubChem (CID 146580072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).