N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium

C12H23N2Y- — CID 59953136

IUPACN-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium
SMILESC=C(C)NCC1CCC(CN[CH2-])CC1.[Y]
InChIInChI=1S/C12H23N2.Y/c1-10(2)14-9-12-6-4-11(5-7-12)8-13-3;/h11-14H,1,3-9H2,2H3;/q-1;
InChIKeyYWFDLKSNZTZYCG-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.29
Rot. Bonds5

About N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium

N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium (PubChem CID 59953136) has the molecular formula C12H23N2Y- and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium.

Molecular Properties

Compound NameN-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium
PubChem CID59953136
Molecular FormulaC12H23N2Y-
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC NameN-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium
SMILESC=C(C)NCC1CCC(CN[CH2-])CC1.[Y]
InChIInChI=1S/C12H23N2.Y/c1-10(2)14-9-12-6-4-11(5-7-12)8-13-3;/h11-14H,1,3-9H2,2H3;/q-1;
InChIKeyYWFDLKSNZTZYCG-UHFFFAOYSA-N
XLogP2.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium?
The IUPAC name of N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium (CID 59953136) is N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium.
What is the SMILES notation for N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium?
The canonical SMILES for N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium is C=C(C)NCC1CCC(CN[CH2-])CC1.[Y].
What is the InChIKey of N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium?
The InChIKey is YWFDLKSNZTZYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2.Y/c1-10(2)14-9-12-6-4-11(5-7-12)8-13-3;/h11-14H,1,3-9H2,2H3;/q-1;.
What are the key properties of N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium?
N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium has a molecular weight of 284.24 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium is sourced from PubChem (CID 59953136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).