1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine

C14H27N3 — CID 163244814

IUPAC1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine
SMILESCCC1CCC/C(=C\N=C\C(C)N)C1(C)CN
InChIInChI=1S/C14H27N3/c1-4-12-6-5-7-13(14(12,3)10-15)9-17-8-11(2)16/h8-9,11-12H,4-7,10,15-16H2,1-3H3/b13-9+,17-8+
InChIKeyFPHPAMBBHUQTBE-GIYDNMIHSA-N
MW237.39 g/mol
LogP2.46
Rot. Bonds4

About 1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine

1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine (PubChem CID 163244814) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine.

Molecular Properties

Compound Name1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine
PubChem CID163244814
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine
SMILESCCC1CCC/C(=C\N=C\C(C)N)C1(C)CN
InChIInChI=1S/C14H27N3/c1-4-12-6-5-7-13(14(12,3)10-15)9-17-8-11(2)16/h8-9,11-12H,4-7,10,15-16H2,1-3H3/b13-9+,17-8+
InChIKeyFPHPAMBBHUQTBE-GIYDNMIHSA-N
XLogP2.46
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine?
The IUPAC name of 1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine (CID 163244814) is 1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine.
What is the SMILES notation for 1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine?
The canonical SMILES for 1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine is CCC1CCC/C(=C\N=C\C(C)N)C1(C)CN.
What is the InChIKey of 1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine?
The InChIKey is FPHPAMBBHUQTBE-GIYDNMIHSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-12-6-5-7-13(14(12,3)10-15)9-17-8-11(2)16/h8-9,11-12H,4-7,10,15-16H2,1-3H3/b13-9+,17-8+.
What are the key properties of 1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine?
1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[2-(aminomethyl)-3-ethyl-2-methylcyclohexylidene]methyl]iminopropan-2-amine is sourced from PubChem (CID 163244814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).