N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine

C17H32N2 — CID 784637

IUPACN-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H32N2/c1-17(2,11-19(3)4)10-18-16-14-6-12-5-13(8-14)9-15(16)7-12/h12-16,18H,5-11H2,1-4H3
InChIKeyXTEMEOMVCBTCNK-UHFFFAOYSA-N
MW264.46 g/mol
LogP2.99
Rot. Bonds5

About N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine

N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 784637) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID784637
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H32N2/c1-17(2,11-19(3)4)10-18-16-14-6-12-5-13(8-14)9-15(16)7-12/h12-16,18H,5-11H2,1-4H3
InChIKeyXTEMEOMVCBTCNK-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 784637) is N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is XTEMEOMVCBTCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-17(2,11-19(3)4)10-18-16-14-6-12-5-13(8-14)9-15(16)7-12/h12-16,18H,5-11H2,1-4H3.
What are the key properties of N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 264.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 784637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).