(3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide

C18H32N2O — CID 46886568

IUPAC(3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H32N2O/c1-11(2)3-14(10-19)9-17(21)20-18-15-5-12-4-13(7-15)8-16(18)6-12/h11-16,18H,3-10,19H2,1-2H3,(H,20,21)/t12?,13?,14-,15?,16?,18?/m0/s1
InChIKeyYKPIMAFFUZKZQV-UEWVTKSYSA-N
MW292.47 g/mol
LogP2.94
Rot. Bonds6

About (3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide

(3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide (PubChem CID 46886568) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is (3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide.

Molecular Properties

Compound Name(3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide
PubChem CID46886568
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H32N2O/c1-11(2)3-14(10-19)9-17(21)20-18-15-5-12-4-13(7-15)8-16(18)6-12/h11-16,18H,3-10,19H2,1-2H3,(H,20,21)/t12?,13?,14-,15?,16?,18?/m0/s1
InChIKeyYKPIMAFFUZKZQV-UEWVTKSYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide?
The IUPAC name of (3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide (CID 46886568) is (3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide.
What is the SMILES notation for (3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide?
The canonical SMILES for (3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide is CC(C)C[C@H](CN)CC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of (3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide?
The InChIKey is YKPIMAFFUZKZQV-UEWVTKSYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-11(2)3-14(10-19)9-17(21)20-18-15-5-12-4-13(7-15)8-16(18)6-12/h11-16,18H,3-10,19H2,1-2H3,(H,20,21)/t12?,13?,14-,15?,16?,18?/m0/s1.
What are the key properties of (3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide?
(3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide has a molecular weight of 292.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-adamantyl)-3-(aminomethyl)-5-methylhexanamide is sourced from PubChem (CID 46886568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).