2-(propan-2-ylamino)adamantane-2-carbonitrile

C14H22N2 — CID 62779613

IUPAC2-(propan-2-ylamino)adamantane-2-carbonitrile
SMILESCC(C)NC1(C#N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22N2/c1-9(2)16-14(8-15)12-4-10-3-11(6-12)7-13(14)5-10/h9-13,16H,3-7H2,1-2H3
InChIKeyYDCXMPDNEANETP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.70
Rot. Bonds2

About 2-(propan-2-ylamino)adamantane-2-carbonitrile

2-(propan-2-ylamino)adamantane-2-carbonitrile (PubChem CID 62779613) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(propan-2-ylamino)adamantane-2-carbonitrile.

Molecular Properties

Compound Name2-(propan-2-ylamino)adamantane-2-carbonitrile
PubChem CID62779613
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(propan-2-ylamino)adamantane-2-carbonitrile
SMILESCC(C)NC1(C#N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22N2/c1-9(2)16-14(8-15)12-4-10-3-11(6-12)7-13(14)5-10/h9-13,16H,3-7H2,1-2H3
InChIKeyYDCXMPDNEANETP-UHFFFAOYSA-N
XLogP2.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)adamantane-2-carbonitrile?
The IUPAC name of 2-(propan-2-ylamino)adamantane-2-carbonitrile (CID 62779613) is 2-(propan-2-ylamino)adamantane-2-carbonitrile.
What is the SMILES notation for 2-(propan-2-ylamino)adamantane-2-carbonitrile?
The canonical SMILES for 2-(propan-2-ylamino)adamantane-2-carbonitrile is CC(C)NC1(C#N)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(propan-2-ylamino)adamantane-2-carbonitrile?
The InChIKey is YDCXMPDNEANETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-9(2)16-14(8-15)12-4-10-3-11(6-12)7-13(14)5-10/h9-13,16H,3-7H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)adamantane-2-carbonitrile?
2-(propan-2-ylamino)adamantane-2-carbonitrile has a molecular weight of 218.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)adamantane-2-carbonitrile is sourced from PubChem (CID 62779613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).