N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine

C10H19N — CID 52920940

IUPACN,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine
SMILES[2H]N([2H])CC1(CC=C)CCCCC1
InChIInChI=1S/C10H19N/c1-2-6-10(9-11)7-4-3-5-8-10/h2H,1,3-9,11H2/i/hD2
InChIKeyRLTBWXOTEDGIGT-ZSJDYOACSA-N
MW155.28 g/mol
LogP2.47
Rot. Bonds4

About N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine

N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine (PubChem CID 52920940) has the molecular formula C10H19N and a molecular weight of 155.28 g/mol. Its IUPAC name is N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine.

Molecular Properties

Compound NameN,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine
PubChem CID52920940
Molecular FormulaC10H19N
Molecular Weight155.28 g/mol
Exact Mass155.16
IUPAC NameN,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine
SMILES[2H]N([2H])CC1(CC=C)CCCCC1
InChIInChI=1S/C10H19N/c1-2-6-10(9-11)7-4-3-5-8-10/h2H,1,3-9,11H2/i/hD2
InChIKeyRLTBWXOTEDGIGT-ZSJDYOACSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine?
The IUPAC name of N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine (CID 52920940) is N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine.
What is the SMILES notation for N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine?
The canonical SMILES for N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine is [2H]N([2H])CC1(CC=C)CCCCC1.
What is the InChIKey of N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine?
The InChIKey is RLTBWXOTEDGIGT-ZSJDYOACSA-N. The full InChI is InChI=1S/C10H19N/c1-2-6-10(9-11)7-4-3-5-8-10/h2H,1,3-9,11H2/i/hD2.
What are the key properties of N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine?
N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine has a molecular weight of 155.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dideuterio-1-(1-prop-2-enylcyclohexyl)methanamine is sourced from PubChem (CID 52920940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).