2-(1-adamantyl)-N-methylpropan-2-amine

C14H25N — CID 3010141

IUPAC2-(1-adamantyl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25N/c1-13(2,15-3)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15H,4-9H2,1-3H3
InChIKeyNSHWKGKBHZMAFK-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.20
Rot. Bonds2

About 2-(1-adamantyl)-N-methylpropan-2-amine

2-(1-adamantyl)-N-methylpropan-2-amine (PubChem CID 3010141) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(1-adamantyl)-N-methylpropan-2-amine
PubChem CID3010141
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2-(1-adamantyl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25N/c1-13(2,15-3)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15H,4-9H2,1-3H3
InChIKeyNSHWKGKBHZMAFK-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-adamantyl)propan-2-yl formate
CID 21182559
acetic acid;1-tert-butyladamantane
CID 66772325
2-(1-adamantyl)butan-2-ylphosphane
CID 166806637
2-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-amine
CID 3010150
N-methyladamantan-1-amine
CID 19476
1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-methylmethanamine
CID 142169685
2-(1-adamantyl)propan-2-yl methyl carbonate
CID 118343727
3-(1-adamantyl)butane-1,3-diol
CID 2802841
5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane
CID 170386418
3-(1-adamantyl)pentan-3-ol
CID 3916017
1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane
CID 158656584
methyl 2-(1-adamantyl)propane-2-sulfonate
CID 175329048

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-methylpropan-2-amine?
The IUPAC name of 2-(1-adamantyl)-N-methylpropan-2-amine (CID 3010141) is 2-(1-adamantyl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(1-adamantyl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(1-adamantyl)-N-methylpropan-2-amine is CNC(C)(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-methylpropan-2-amine?
The InChIKey is NSHWKGKBHZMAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-13(2,15-3)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 2-(1-adamantyl)-N-methylpropan-2-amine?
2-(1-adamantyl)-N-methylpropan-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-methylpropan-2-amine is sourced from PubChem (CID 3010141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).