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

C19H36N2 — CID 63466577

IUPAC1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCCCN(CC)CC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H36N2/c1-4-6-7-21(5-2)14-18(20-3)19-11-15-8-16(12-19)10-17(9-15)13-19/h15-18,20H,4-14H2,1-3H3
InChIKeySOCYCMWUSXPDCU-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.91
Rot. Bonds8

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

1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 63466577) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID63466577
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCCCN(CC)CC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H36N2/c1-4-6-7-21(5-2)14-18(20-3)19-11-15-8-16(12-19)10-17(9-15)13-19/h15-18,20H,4-14H2,1-3H3
InChIKeySOCYCMWUSXPDCU-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.91
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'-butyl-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine (CID 63466577) is 1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine is CCCCN(CC)CC(NC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is SOCYCMWUSXPDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-6-7-21(5-2)14-18(20-3)19-11-15-8-16(12-19)10-17(9-15)13-19/h15-18,20H,4-14H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine?
1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 292.51 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 63466577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).