1-(1-adamantyl)-2-methylcyclopropan-1-amine

C14H23N — CID 79332665

IUPAC1-(1-adamantyl)-2-methylcyclopropan-1-amine
SMILESCC1CC1(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23N/c1-9-5-14(9,15)13-6-10-2-11(7-13)4-12(3-10)8-13/h9-12H,2-8,15H2,1H3
InChIKeyWRLJBGQVZPYKMZ-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.94
Rot. Bonds1

About 1-(1-adamantyl)-2-methylcyclopropan-1-amine

1-(1-adamantyl)-2-methylcyclopropan-1-amine (PubChem CID 79332665) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-methylcyclopropan-1-amine
PubChem CID79332665
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(1-adamantyl)-2-methylcyclopropan-1-amine
SMILESCC1CC1(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23N/c1-9-5-14(9,15)13-6-10-2-11(7-13)4-12(3-10)8-13/h9-12H,2-8,15H2,1H3
InChIKeyWRLJBGQVZPYKMZ-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-methylcyclopropan-1-amine?
The IUPAC name of 1-(1-adamantyl)-2-methylcyclopropan-1-amine (CID 79332665) is 1-(1-adamantyl)-2-methylcyclopropan-1-amine.
What is the SMILES notation for 1-(1-adamantyl)-2-methylcyclopropan-1-amine?
The canonical SMILES for 1-(1-adamantyl)-2-methylcyclopropan-1-amine is CC1CC1(N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-methylcyclopropan-1-amine?
The InChIKey is WRLJBGQVZPYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-9-5-14(9,15)13-6-10-2-11(7-13)4-12(3-10)8-13/h9-12H,2-8,15H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-methylcyclopropan-1-amine?
1-(1-adamantyl)-2-methylcyclopropan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 79332665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).