1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine

C18H32N2 — CID 63466428

IUPAC1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCN(CC(NC)C12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C18H32N2/c1-3-20(16-4-5-16)12-17(19-2)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-17,19H,3-12H2,1-2H3
InChIKeyWETFJFJKNINXAK-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.28
Rot. Bonds6

About 1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine

1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 63466428) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID63466428
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCN(CC(NC)C12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C18H32N2/c1-3-20(16-4-5-16)12-17(19-2)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-17,19H,3-12H2,1-2H3
InChIKeyWETFJFJKNINXAK-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine (CID 63466428) is 1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine is CCN(CC(NC)C12CC3CC(CC(C3)C1)C2)C1CC1.
What is the InChIKey of 1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is WETFJFJKNINXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-20(16-4-5-16)12-17(19-2)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine?
1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 63466428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).