1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine

C19H34N2 — CID 63467165

IUPAC1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC(NC)C12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C19H34N2/c1-3-6-21(17-4-5-17)13-18(20-2)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-18,20H,3-13H2,1-2H3
InChIKeyIZUZLWYVSCFGOD-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.67
Rot. Bonds7

About 1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine

1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine (PubChem CID 63467165) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine
PubChem CID63467165
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC(NC)C12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C19H34N2/c1-3-6-21(17-4-5-17)13-18(20-2)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-18,20H,3-13H2,1-2H3
InChIKeyIZUZLWYVSCFGOD-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.67
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-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of 1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine (CID 63467165) is 1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for 1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for 1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine is CCCN(CC(NC)C12CC3CC(CC(C3)C1)C2)C1CC1.
What is the InChIKey of 1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is IZUZLWYVSCFGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-3-6-21(17-4-5-17)13-18(20-2)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-18,20H,3-13H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine?
1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 3.67, 7 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-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 63467165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).