2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine

C9H18N4 — CID 123703373

IUPAC2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine
SMILES[H]/N=C(/C=N/C1CCN(C)CC1)CN
InChIInChI=1S/C9H18N4/c1-13-4-2-9(3-5-13)12-7-8(11)6-10/h7,9,11H,2-6,10H2,1H3/b11-8+,12-7+
InChIKeyAPPUJELBHNVBTG-NFLJZBCPSA-N
MW182.27 g/mol
LogP0.13
Rot. Bonds3

About 2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine

2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine (PubChem CID 123703373) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine.

Molecular Properties

Compound Name2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine
PubChem CID123703373
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine
SMILES[H]/N=C(/C=N/C1CCN(C)CC1)CN
InChIInChI=1S/C9H18N4/c1-13-4-2-9(3-5-13)12-7-8(11)6-10/h7,9,11H,2-6,10H2,1H3/b11-8+,12-7+
InChIKeyAPPUJELBHNVBTG-NFLJZBCPSA-N
XLogP0.13
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one
CID 167535467
(1-methylpiperidin-4-yl) carbamimidothioate
CID 164875555
1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 43189380
N-(1-methylpiperidin-4-yl)propan-2-imine
CID 123600860
3-cyclopropyliminopropanimidoyl chloride
CID 123541811
2-iminopent-3-ene-1,4-diamine
CID 147865481
N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide
CID 63178577
2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
CID 117266264
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
ethane;5-fluoro-1-methylazepan-4-ol
CID 166157376
(4R,5S)-5-amino-1-methylazepan-4-ol
CID 176703641
N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine
CID 91180569

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine?
The IUPAC name of 2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine (CID 123703373) is 2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine.
What is the SMILES notation for 2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine?
The canonical SMILES for 2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine is [H]/N=C(/C=N/C1CCN(C)CC1)CN.
What is the InChIKey of 2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine?
The InChIKey is APPUJELBHNVBTG-NFLJZBCPSA-N. The full InChI is InChI=1S/C9H18N4/c1-13-4-2-9(3-5-13)12-7-8(11)6-10/h7,9,11H,2-6,10H2,1H3/b11-8+,12-7+.
What are the key properties of 2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine?
2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine is sourced from PubChem (CID 123703373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).