4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline

C16H24N4 — CID 143847617

IUPAC4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(N2CCNCC23CCCCC3)ccc1N
InChIInChI=1S/C16H24N4/c17-11-13-10-14(4-5-15(13)18)20-9-8-19-12-16(20)6-2-1-3-7-16/h4-5,10-11,17,19H,1-3,6-9,12,18H2/b17-11+
InChIKeyRBDGPZRLGXNQSE-GZTJUZNOSA-N
MW272.40 g/mol
LogP2.38
Rot. Bonds2

About 4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline

4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline (PubChem CID 143847617) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline.

Molecular Properties

Compound Name4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline
PubChem CID143847617
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(N2CCNCC23CCCCC3)ccc1N
InChIInChI=1S/C16H24N4/c17-11-13-10-14(4-5-15(13)18)20-9-8-19-12-16(20)6-2-1-3-7-16/h4-5,10-11,17,19H,1-3,6-9,12,18H2/b17-11+
InChIKeyRBDGPZRLGXNQSE-GZTJUZNOSA-N
XLogP2.38
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline?
The IUPAC name of 4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline (CID 143847617) is 4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline.
What is the SMILES notation for 4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline?
The canonical SMILES for 4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline is [H]/N=C/c1cc(N2CCNCC23CCCCC3)ccc1N.
What is the InChIKey of 4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline?
The InChIKey is RBDGPZRLGXNQSE-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H24N4/c17-11-13-10-14(4-5-15(13)18)20-9-8-19-12-16(20)6-2-1-3-7-16/h4-5,10-11,17,19H,1-3,6-9,12,18H2/b17-11+.
What are the key properties of 4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline?
4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline has a molecular weight of 272.40 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline is sourced from PubChem (CID 143847617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).