N-[4-(methylamino)butan-2-ylidene]methanimidamide

C6H13N3 — CID 118973434

IUPACN-[4-(methylamino)butan-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(\C)CCNC
InChIInChI=1S/C6H13N3/c1-6(9-5-7)3-4-8-2/h5,7-8H,3-4H2,1-2H3/b7-5+,9-6+
InChIKeyVODJQGMKMKLKKG-PDTNFJSOSA-N
MW127.19 g/mol
LogP0.66
Rot. Bonds4

About N-[4-(methylamino)butan-2-ylidene]methanimidamide

N-[4-(methylamino)butan-2-ylidene]methanimidamide (PubChem CID 118973434) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[4-(methylamino)butan-2-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[4-(methylamino)butan-2-ylidene]methanimidamide
PubChem CID118973434
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-[4-(methylamino)butan-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(\C)CCNC
InChIInChI=1S/C6H13N3/c1-6(9-5-7)3-4-8-2/h5,7-8H,3-4H2,1-2H3/b7-5+,9-6+
InChIKeyVODJQGMKMKLKKG-PDTNFJSOSA-N
XLogP0.66
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[4-(methylamino)butan-2-ylidene]methanimidamide?
The IUPAC name of N-[4-(methylamino)butan-2-ylidene]methanimidamide (CID 118973434) is N-[4-(methylamino)butan-2-ylidene]methanimidamide.
What is the SMILES notation for N-[4-(methylamino)butan-2-ylidene]methanimidamide?
The canonical SMILES for N-[4-(methylamino)butan-2-ylidene]methanimidamide is [H]/N=C/N=C(\C)CCNC.
What is the InChIKey of N-[4-(methylamino)butan-2-ylidene]methanimidamide?
The InChIKey is VODJQGMKMKLKKG-PDTNFJSOSA-N. The full InChI is InChI=1S/C6H13N3/c1-6(9-5-7)3-4-8-2/h5,7-8H,3-4H2,1-2H3/b7-5+,9-6+.
What are the key properties of N-[4-(methylamino)butan-2-ylidene]methanimidamide?
N-[4-(methylamino)butan-2-ylidene]methanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)butan-2-ylidene]methanimidamide is sourced from PubChem (CID 118973434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).